Information card for entry 8105925

Structure parameters

• Formula: C35 H35 N7 O
• Calculated formula: C35 H35 N7 O
• SMILES: O=C1N(/N=C/c2nc3ccccc3nc2)C(c2c1cc(N(C)C)cc2)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
• Title of publication: Crystal structure of (Z)-6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)-2-(2-(quinoxalin-2-ylmethylene)hydrazinyl)-2,3-dihydroinden-1-one, C35H35N7O
• Authors of publication: Zeng, Dai; Xing, Ai-Ping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1023 - 1025
• a: 10.287 ± 0.0003 Å
• b: 11.9918 ± 0.0004 Å
• c: 13.8995 ± 0.0005 Å
• α: 109.21 ± 0.003°
• β: 96.833 ± 0.003°
• γ: 107.594 ± 0.003°
• Cell volume: 1497.29 ± 0.1 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No