Information card for entry 1503264

Structure parameters

• Formula: C26 H34 N2 O5
• Calculated formula: C26 H34 N2 O5
• SMILES: O(C(C)(C)C)C(=O)N1[C@@H](C[C@]23[C@H]1c1oc4CCC#CCCCCN(C3)C(=O)C[C@@H]2c1c4)CO
• Title of publication: Total synthesis of (-)-nakadomarin A.
• Authors of publication: Nilson, Mark G.; Funk, Raymond L.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 4912 - 4915
• a: 9.212 ± 0.004 Å
• b: 10.137 ± 0.004 Å
• c: 25.14 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2347.6 ± 1.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.1394
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No