Information card for entry 1555526

Structure parameters

• Formula: C25 H37 N3 O3
• Calculated formula: C25 H37 N3 O3
• SMILES: O1[C@]2(N=C(C[C@H]2OC)c2[nH]ccc2)[C@H]2[C@H](C[C@@H]1C)CCCCCCCc1[nH]c2cc1.O
• Title of publication: Total Synthesis of the Proposed Structure of Marineosin A.
• Authors of publication: Xu, Bing; Li, Guang; Li, Jing; Shi, Yian
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 2028 - 2031
• a: 8.174 ± 0.003 Å
• b: 12.797 ± 0.005 Å
• c: 21.823 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2282.7 ± 1.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0677
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No