Information card for entry 1505416

Structure parameters

• Common name: cmc0546b
• Formula: C20 H30 N2 O3
• Calculated formula: C20 H30 N2 O3
• SMILES: OC[C@H]([C@H]1CC[C@@H]([C@H](O1)N1[C@@H](c2ccccc2)[C@H](N(C1=O)C)C)C)C
• Title of publication: A formal total synthesis of (+)-zincophorin. Observation of an unusual urea-directed Stork-Crabtree hydrogenation.
• Authors of publication: Song, Zhenlei; Hsung, Richard P.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 2199 - 2202
• 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: 1882.9 ± 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