Information card for entry 2200931

Structure parameters

• Chemical name: 2,2,7-Triphenyl-1H-naphth[2,1-c]azepine-1,5-dione
• Formula: C33 H25 N O2
• Calculated formula: C33 H25 N O2
• SMILES: O=C1N(CC(C(=O)c2c1cc(c1ccccc21)c1ccccc1)(c1ccccc1)c1ccccc1)C
• Title of publication: 2-Methyl-3,3,10-triphenyl-3,4-dihydronaphth[2,1-<i>c</i>]azepine-1,5-dione
• Authors of publication: Bao Guo Zhao; Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o162 - o164
• a: 7.2788 ± 0.0001 Å
• b: 12.2856 ± 0.0001 Å
• c: 27.1499 ± 0.0003 Å
• α: 90°
• β: 94.313 ± 0.001°
• γ: 90°
• Cell volume: 2420.99 ± 0.05 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes