Information card for entry 4023102

Structure parameters

• Common name: cmc0546b
• Formula: C20 H30 N2 O3
• Calculated formula: C20 H30 N2 O3
• SMILES: N1(C(=O)N([C@@H]([C@@H]1c1ccccc1)C)C)[C@H]1O[C@H](CC[C@@H]1C)[C@@H](CO)C
• Title of publication: Studies on a Urea-Directed Stork-Crabtree Hydrogenation. Synthesis of the C1-C9 Subunit of (+)-Zincophorin
• Authors of publication: Zhenlei Song; Richard P. Hsung; Ting Lu; Andrew G. Lohse
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9722 - 9731
• a: 6.0607 ± 0.0008 Å
• b: 15.52 ± 0.002 Å
• c: 20.018 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1883 ± 0.4 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.49594 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No