Information card for entry 2201466

Structure parameters

• Chemical name: 1,3,3,4,4-Pentaphenyl-β-lactam
• Formula: C33 H25 N O
• Calculated formula: C33 H25 N O
• SMILES: O=C1N(C(C1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 1,3,3,4,4-Pentaphenyl-β-lactam
• Authors of publication: Anwar Usman; Hoong-Kun Fun; Jing-Zhi Tian; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o1318 - o1320
• a: 10.3827 ± 0.0001 Å
• b: 14.5395 ± 0.0002 Å
• c: 17.3675 ± 0.0001 Å
• α: 105.145 ± 0.001°
• β: 102.943 ± 0.001°
• γ: 98.9522 ± 0.0005°
• Cell volume: 2401.69 ± 0.05 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1361
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2463
• Weighted residual factors for all reflections included in the refinement: 0.266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes