Information card for entry 4501470

Structure parameters

• Chemical name: 1-cyano-trans-1,2-bis-(4-carbazolyl)phenylethylene
• Formula: C39 H25 N3
• Calculated formula: C39 H25 N3
• SMILES: n1(c2ccccc2c2ccccc12)c1ccc(cc1)C(=C\c1ccc(n2c3ccccc3c3ccccc23)cc1)\C#N
• Title of publication: Carbazole-based cyano-stilbene highly fluorescent microcrystals.
• Authors of publication: Upamali, Karasinghe A. N.; Estrada, Leandro A.; De, Puran K.; Cai, Xichen; Krause, Jeanette A.; Neckers, Douglas C.
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2011
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 1573 - 1580
• a: 36.027 ± 0.008 Å
• b: 8.1258 ± 0.0017 Å
• c: 18.646 ± 0.004 Å
• α: 90°
• β: 90.241 ± 0.006°
• γ: 90°
• Cell volume: 5459 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No