Information card for entry 7119229

Structure parameters

• Chemical name: 5,6a,8,8-tetramethyl-10-phenyl-7,8-dihydrophenanthridine-6,9(5H,6aH)-dione
• Formula: C23 H23 N O2
• Calculated formula: C23 H23 N O2
• SMILES: N1(C(=O)C2(CC(C(=O)C(=C2c2ccccc12)c1ccccc1)(C)C)C)C
• Title of publication: Copper-promoted [2+2+2] annulation of 1,n-enynes through decomposition of azobis(alkyl nitrile)s.
• Authors of publication: Liu, Bang; Wang, Cheng-Yong; Hu, Ming; Song, Ren-Jie; Chen, Fan; Li, Jin-Heng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 1265 - 1268
• a: 10.9689 ± 0.0007 Å
• b: 11.2631 ± 0.0008 Å
• c: 15.5168 ± 0.001 Å
• α: 90°
• β: 104.218 ± 0.001°
• γ: 90°
• Cell volume: 1858.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No