Information card for entry 2010583

Structure parameters

• Formula: C20 H28 O4
• Calculated formula: C20 H28 O4
• SMILES: O(C(=O)[C@@]12OC(=O)[C@@](C)(CC1)C2(C)C)C[C@@H]([C@H]1C=CC(=C)CC1)C
• Title of publication: (1<i>R</i>,2<i>R</i>)-2-(4-Methylenecyclohex-2-enyl)propyl (1<i>R</i>,4<i>S</i>)-camphanate
• Authors of publication: Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 76 - 77
• a: 6.2171 ± 0.0006 Å
• b: 12.5197 ± 0.0009 Å
• c: 12.2224 ± 0.0009 Å
• α: 90°
• β: 97.225 ± 0.005°
• γ: 90°
• Cell volume: 943.79 ± 0.13 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 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: 0.0477
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes