Information card for entry 1555528

Structure parameters

• Formula: C18 H31 N O5
• Calculated formula: C18 H31 N O5
• SMILES: [C@@]1([C@@H]([C@H](C[C@H](C)O1)CCC=C)[C@H](C=C)O)([C@@H](CC(=O)N)OC)OC
• 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: 7.71375 ± 0.00006 Å
• b: 8.88494 ± 0.00009 Å
• c: 28.0459 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1922.16 ± 0.03 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 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: 0.0378
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No