Information card for entry 1519193

Structure parameters

• Formula: C31 H28 Cl N O
• Calculated formula: C31 H28 Cl N O
• SMILES: ClC(C(=O)N(Cc1ccccc1)c1c2ccc(c1)CCc1ccc(CC2)cc1)c1ccccc1
• Title of publication: C31H28ClNO
• Authors of publication: Pelter, Andy; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1998
• Pages of publication: 744
• a: 12.567 ± 0.0007 Å
• b: 8.969 ± 0.0013 Å
• c: 21.549 ± 0.002 Å
• α: 90°
• β: 94.7 ± 0.004°
• γ: 90°
• Cell volume: 2420.7 ± 0.4 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: 0.1223
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No