Information card for entry 4131724

Structure parameters

• Formula: C24 H29 N O6
• Calculated formula: C24 H29 N O6
• SMILES: Oc1cc2N3C(=O)[C@](C(=O)[C@]3(C=C(C)[C@H](c2c(O)c1)[C@H](C=C)C)CC)(C)C(=O)OCC
• Title of publication: Total Syntheses of (+)- and (-)-Tetrapetalones A and C.
• Authors of publication: Dhanjee, Heemal H.; Kobayashi, Yutaka; Buergler, Jonas F.; McMahon, Travis C.; Haley, Matthew W.; Howell, Jennifer M.; Fujiwara, Koichi; Wood, John L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 42
• Pages of publication: 14901 - 14904
• a: 11.263 ± 0.0006 Å
• b: 11.6823 ± 0.0004 Å
• c: 20.3071 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2671.96 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No