Information card for entry 2200451

Structure parameters

• Chemical name: (1R/1S,5S/5R)-Dichloro-3,6,6-triphenyl-3-azabicyclo[3.2.0]hepta-2,4-dione
• Formula: C24 H17 Cl2 N O2
• Calculated formula: C24 H17 Cl2 N O2
• SMILES: Cl[C@@]12C(=O)N(C(=O)[C@]1(Cl)CC2(c1ccccc1)c1ccccc1)c1ccccc1.Cl[C@]12C(=O)N(C(=O)[C@@]1(Cl)CC2(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 1,5-Dichloro-3,6,6-triphenyl-3-azabicyclo[3.2.0]heptane-2,4-dione
• Authors of publication: Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Xue, Jie; Xu, Jian-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o792 - o793
• a: 11.1302 ± 0.0002 Å
• b: 7.3731 ± 0.0001 Å
• c: 24.3816 ± 0.0004 Å
• α: 90°
• β: 96.95 ± 0.001°
• γ: 90°
• Cell volume: 1986.15 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.064
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes