Information card for entry 2200641

Structure parameters

• Chemical name: 1,5-Dichloro-3,6-diphenyl-3-azabicyclo[3.2.0]-hept-6-ene-2,4-dione
• Formula: C18 H11 Cl2 N O2
• Calculated formula: C18 H11 Cl2 N O2
• SMILES: Cl[C@]12C(=C[C@@]1(Cl)C(=O)N(C2=O)c1ccccc1)c1ccccc1.Cl[C@@]12C(=C[C@]1(Cl)C(=O)N(C2=O)c1ccccc1)c1ccccc1
• Title of publication: 1,5-Dichloro-3,6-diphenyl-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Bao-Guo Zhao; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o990 - o991
• a: 7.1468 ± 0.0002 Å
• b: 14.8464 ± 0.0005 Å
• c: 15.1091 ± 0.0005 Å
• α: 90°
• β: 97.41 ± 0.001°
• γ: 90°
• Cell volume: 1589.75 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes