Information card for entry 4024773

Structure parameters

• Formula: C25 H21 N O4
• Calculated formula: C25 H21 N O4
• SMILES: N1c2c(ccc3C(=O)c4c(ccc5cc(ccc45)C)C(=O)c23)[C@@H]2O[C@@H]([C@@H](O)[C@H]1C2)C
• Title of publication: Synthesis Study on Marmycin A: Preparation of the C3'-Desmethyl Analogues
• Authors of publication: Chunyong Ding; Shanghui Tu; Fuying Li; Yuanxiang Wang; Qizheng Yao; Wenxiang Hu; Hua Xie; Linghua Meng; Ao Zhang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 6111 - 6119
• a: 11.9709 ± 0.0017 Å
• b: 5.9426 ± 0.0008 Å
• c: 13.4008 ± 0.0019 Å
• α: 90°
• β: 104.757 ± 0.003°
• γ: 90°
• Cell volume: 921.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No