Information card for entry 8105171

Structure parameters

• Formula: C44 H34 N2 O4
• Calculated formula: C44 H34 N2 O4
• SMILES: O=C(O[C@]1([C@H]2N(c3ccccc3)C=C(O[C@@]2(c2ccccc2)[C@H]1N(c1ccccc1)C=O)c1ccccc1)c1ccccc1)c1ccccc1.O=C(O[C@@]1([C@@H]2N(c3ccccc3)C=C(O[C@]2(c2ccccc2)[C@@H]1N(c1ccccc1)C=O)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of 1,3,5,7-tetraphenyl-8-(N-phenylformamido)-2-oxa-5-azabicyclo[4.2.0]oct -3-en-7-yl benzoate, C44H34N2O4
• Authors of publication: Li, Xue; Zhang, Meng-Meng; Chong, Ying-Zhi; Cui, Li-Hua; Ma, Yu; Feng, Fu-Min
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 557 - 559
• a: 10.4564 ± 0.0013 Å
• b: 11.3627 ± 0.0014 Å
• c: 15.3946 ± 0.0019 Å
• α: 82.106 ± 0.002°
• β: 75.318 ± 0.002°
• γ: 77.704 ± 0.002°
• Cell volume: 1722 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0684
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No