Information card for entry 2013569

Structure parameters

• Chemical name: 10,13,16,17-tetrahydroxy-9-methyl-15-oxo-20-nor-kauran-18-oic acid-γ-lactone
• Formula: C40 H58 O13
• Calculated formula: C40 H58 O13
• Title of publication: A new norkaurane-γ-lactone from <i>Parinari sprucei</i>
• Authors of publication: Mattia, Carlo Andrea; Braca, Alessandra; De Tommasi, Nunziatina; Puliti, Raffaella
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o644 - o646
• a: 11.627 ± 0.003 Å
• b: 14.7157 ± 0.0019 Å
• c: 21.081 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3606.9 ± 1.2 ų
• Cell temperature: 291 ± 0.5 K
• Ambient diffraction temperature: 291 ± 0.5 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: 0.0391
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes