Information card for entry 1502573

Structure parameters

• Formula: C29.25 H42 N4 O6.25
• Calculated formula: C29.25 H42 N4 O6.25
• SMILES: c1ccccc1COc1ccc2c3c1[nH]cc3C[C@H]([C@]1([C@@H]2C)CNC(=O)N1)NC(=O)OC(C)(C)C.CO.CO.CO.c1ccccc1COc1ccc2c3c1[nH]cc3C[C@@H]([C@@]1([C@H]2C)CNC(=O)N1)NC(=O)OC(C)(C)C.CO.CO.CO
• Title of publication: Total synthesis of (±)-dragmacidin E.
• Authors of publication: Feldman, Ken S.; Ngernmeesri, Paiboon
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 5704 - 5707
• a: 14.467 ± 0.006 Å
• b: 17.927 ± 0.007 Å
• c: 11.676 ± 0.004 Å
• α: 90°
• β: 91.572 ± 0.008°
• γ: 90°
• Cell volume: 3027 ± 2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No