Information card for entry 8106945

Structure parameters

• Formula: C21 H34 O3
• Calculated formula: C21 H34 O3
• Title of publication: Crystal structure of methyl 8-hydroxy-3-isopropyl-5a,8-dimethyl-2,3,4,5,5a,6,7,8,10a,10b-decahydrocyclohepta[e]indene-3a(1H)-carboxylate, C21H34O3
• Authors of publication: Brito, Iván; Bórquez, Jorge; Simirgiotis, Mario; Cárdenas, Alejandro; Molina-Salinas, Gloria M.; Jerz, Gerold; Peña-Rodriguez, Luis Manuel; Winterhalter, Peter
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 579 - 582
• a: 7.542 ± 0.0007 Å
• b: 11.6929 ± 0.0011 Å
• c: 22.657 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1998.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No