Information card for entry 7152900

Structure parameters

• Formula: C10 H15 N O3
• Calculated formula: C10 H15 N O3
• SMILES: O1[C@@H](C)CCC[C@@]21NC(=O)C=C2OC.O1[C@H](C)CCC[C@]21NC(=O)C=C2OC
• Title of publication: A concise approach to the spiroiminal fragment of marineosins.
• Authors of publication: Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 2936 - 2938
• a: 7.677 ± 0.0015 Å
• b: 14.89 ± 0.003 Å
• c: 8.9195 ± 0.0018 Å
• α: 90°
• β: 105.14 ± 0.03°
• γ: 90°
• Cell volume: 984.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No