Information card for entry 4036037

Structure parameters

• Formula: C22 H15 N3
• Calculated formula: C22 H15 N3
• SMILES: [nH]1c(/C(=C/c2ccccc2)C#N)ccc1C(=C\c1ccccc1)\C#N
• Title of publication: Fluorescence Behavior of Bis(cyanostyryl)pyrrole Derivatives Depending on the Substituent Position of Cyano Groups in Solution and in Solid State.
• Authors of publication: Yokoyama, Soichi; Nishiwaki, Nagatoshi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 3
• Pages of publication: 1192 - 1200
• a: 14.4693 ± 0.0003 Å
• b: 12.8715 ± 0.0002 Å
• c: 9.0715 ± 0.0002 Å
• α: 90°
• β: 99.139 ± 0.002°
• γ: 90°
• Cell volume: 1668.04 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No