Information card for entry 2007127

Structure parameters

• Formula: C21 H30 O6
• Calculated formula: C21 H30 O6
• SMILES: O([C@H]1[C@@H]2[C@H]([C@@H](OC(=O)[C@]34OC(=O)[C@@](CC3)(C)C4(C)C)C1(C)C)[C@H]2C)C(=O)C
• Title of publication: Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds
• Authors of publication: Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 392 - 398
• a: 14.714 ± 0.001 Å
• b: 11.001 ± 0.001 Å
• c: 14.736 ± 0.002 Å
• α: 90°
• β: 118.527 ± 0.008°
• γ: 90°
• Cell volume: 2095.7 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No