Information card for entry 4028835

Structure parameters

• Formula: C17 H25 N O2
• Calculated formula: C17 H25 N O2
• SMILES: [nH]1c2CCCCCCC[C@H]3C[C@@H](OC(=O)[C@@H]3c1cc2)C.[nH]1c2CCCCCCC[C@@H]3C[C@H](OC(=O)[C@H]3c1cc2)C
• Title of publication: Synthesis of the Spiroiminal Moiety and Approaches to the Synthesis of Marineosins A and B
• Authors of publication: Xiao-Chuan Cai; Barry B. Snider
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 12161 - 12175
• a: 26.6957 ± 0.0013 Å
• b: 9.4112 ± 0.0005 Å
• c: 13.5643 ± 0.0007 Å
• α: 90°
• β: 115.845 ± 0.002°
• γ: 90°
• Cell volume: 3067 ± 0.3 ų
• Cell temperature: 160 K
• Ambient diffraction temperature: 160 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections: 0.1117
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No