Information card for entry 2243512

Structure parameters

• Chemical name: Phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-<i>a</i>]pyridin-6-yl)methanone
• Formula: C32 H28 N2 O
• Calculated formula: C32 H28 N2 O
• SMILES: C1CN[C@]2(C[C@@H](C(=C(c3ccccc3)N12)C(=O)c1ccccc1)c1ccccc1)c1ccccc1.C1CN[C@@]2(C[C@H](C(=C(c3ccccc3)N12)C(=O)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-<i>a</i>]pyridin-6-yl)methanone with an unknown solvent
• Authors of publication: Naghiyev, Farid N.; Mammadova, Gunay Z.; Mamedov, Ibrahim G.; Huseynova, Afet T.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Akobirshoeva, Anzurat A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1365 - 1368
• a: 8.7807 ± 0.0009 Å
• b: 11.9566 ± 0.0012 Å
• c: 12.9121 ± 0.0013 Å
• α: 77.982 ± 0.001°
• β: 78.711 ± 0.001°
• γ: 75.612 ± 0.001°
• Cell volume: 1269.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0829
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes