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PreprintCC BYChemRxiv

Revealing Elusive Polymorphism in a Highly Luminescent β-Cyano-Substituted Distyrylbenzene Using MicroED

Abstract

The elusive dimorphic β-(outer) regioisomer of a cyano-substituted distyrylbenzene derivative (PDN-4) was characterized using MicroED. Despite having identical substituents to α-(inner) regioisomer, β-PDN-4 exhibits an exceptionally rare syn-rotamer alongside an anti-conformation, leading to distinct photophysical properties that are well supported by theoretical calculations.

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BibTeX
@misc{kalita2026revealing,
  title = {{Revealing Elusive Polymorphism in a Highly Luminescent β-Cyano-Substituted Distyrylbenzene Using MicroED}},
  author = {Nabadeep Kalita and Takanori Nakane and Akihiro Kawamoto and Kouhei Ichiyanagi and Hrishipad Deka and Dhruba Jyoti Kalita and Toshiyuki Sasaki and Genji Kurisu and Ranjit Thakuria},
  howpublished = {ChemRxiv},
  year = {2026},
  month = sep,
  doi = {10.26434/chemrxiv.15008495/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008495/v1},
  note = {CC BY},
}
RIS
TY  - UNPB
TI  - Revealing Elusive Polymorphism in a Highly Luminescent β-Cyano-Substituted Distyrylbenzene Using MicroED
AU  - Nabadeep Kalita
AU  - Takanori Nakane
AU  - Akihiro Kawamoto
AU  - Kouhei Ichiyanagi
AU  - Hrishipad Deka
AU  - Dhruba Jyoti Kalita
AU  - Toshiyuki Sasaki
AU  - Genji Kurisu
AU  - Ranjit Thakuria
PY  - 2026
DA  - 2026/09/08
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15008495/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008495/v1
AB  - The elusive dimorphic β-(outer) regioisomer of a cyano-substituted distyrylbenzene derivative (PDN-4) was characterized using MicroED. Despite having identical substituents to α-(inner) regioisomer, β-PDN-4 exhibits an exceptionally rare syn-rotamer alongside an anti-conformation, leading to distinct photophysical properties that are well supported by theoretical calculations.
ER  -