Information card for entry 1507403

Structure parameters

• Formula: C41 H43 N3 O8
• Calculated formula: C41 H43 N3 O8
• SMILES: O=C1N[C@H]([C@@H](OC(=O)[C@@H]2[C@@H]3[C@]4(O[C@@H]2C=C4)[C@H](N(C3=O)Cc2ccc(OC)cc2)C(=O)N(CC=CCC1)Cc1ccccc1)c1ccccc1)COC
• Title of publication: Stereochemical control of skeletal diversity.
• Authors of publication: Sello, Jason K.; Andreana, Peter R.; Lee, Daesung; Schreiber, Stuart L.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 22
• Pages of publication: 4125 - 4127
• a: 9.4799 ± 0.0005 Å
• b: 17.1466 ± 0.0009 Å
• c: 23.3272 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3791.8 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0897
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No