Information card for entry 4106355

Structure parameters

• Formula: C30.5 H30 Cl N O10.5
• Calculated formula: C30.5 H30 Cl N O10.5
• SMILES: Clc1c2c(OC)c3CCc4c(OC)c5OC6[C@@H](O)C[C@H](O)[C@H](O)C=6C(=O)c5c(O)c4c3c(O)c2c(=O)n(c1CCC)C.OC
• Title of publication: Total Synthesis and Absolute Stereochemical Assignment of Kibdelone C
• Authors of publication: David L. Sloman; Jeffrey W. Bacon; John A. Porco
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 9952 - 9955
• a: 17.753 ± 0.004 Å
• b: 8.1082 ± 0.0016 Å
• c: 23.17 ± 0.005 Å
• α: 90°
• β: 101.19 ± 0.03°
• γ: 90°
• Cell volume: 3271.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2271
• Weighted residual factors for all reflections included in the refinement: 0.2474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No