Information card for entry 2236183

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)-4-nitroaniline
• Formula: C21 H16 N2 O2
• Calculated formula: C21 H16 N2 O2
• SMILES: O=N(=O)c1ccc(/N=C/C=C(c2ccccc2)c2ccccc2)cc1
• Title of publication: (<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)-4-nitroaniline
• Authors of publication: Kang, Yong Koo; Cho, Yong Seo; Lee, Jae Kyun; Yu, Byung-Yong; Cha, Joo Hwan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3031
• a: 9.4399 ± 0.0008 Å
• b: 23.1526 ± 0.0016 Å
• c: 8.1388 ± 0.0005 Å
• α: 90°
• β: 108.039 ± 0.002°
• γ: 90°
• Cell volume: 1691.4 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes