Information card for entry 1503160

Structure parameters

• Formula: C26 H22 N2 O4
• Calculated formula: C26 H22 N2 O4
• SMILES: c1(ccccc1)C(=O)C(C(=O)c1ccccc1)C1(C(=O)N(C(=O)N1C)C)c1ccccc1
• Title of publication: An efficient synthesis of hydantoins via sustainable integration of coupled domino processes.
• Authors of publication: Gao, Meng; Yang, Yan; Wu, Yan-Dong; Deng, Cong; Shu, Wen-Ming; Zhang, Dong-Xue; Cao, Li-Ping; She, Neng-Fang; Wu, An-Xin
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 4026 - 4029
• a: 10.513 ± 0.001 Å
• b: 21.209 ± 0.002 Å
• c: 19.5593 ± 0.0019 Å
• α: 90°
• β: 90.309 ± 0.002°
• γ: 90°
• Cell volume: 4361.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0885
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No