Information card for entry 2003336

Structure parameters

• Chemical name: (R*,R*)-α-(1-Methoxy-3-methylenecyclopropyl)-cyclohexanemethanol
• Formula: C12 H20 O2
• Calculated formula: C12 H20 O2
• SMILES: O([C@]1(CC1=C)[C@H](O)C1CCCCC1)C.O([C@@]1(CC1=C)[C@@H](O)C1CCCCC1)C
• Title of publication: Two Highly Substituted Methylenecyclopropanes
• Authors of publication: Delanghe, P. H. M.; Lautens, M.; Lough, A. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 700 - 703
• a: 12.398 ± 0.002 Å
• b: 10.057 ± 0.001 Å
• c: 10.177 ± 0.001 Å
• α: 90°
• β: 109.65 ± 0.01°
• γ: 90°
• Cell volume: 1195 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections: 0.412
• Weighted residual factors for significantly intense reflections: 0.0799
• Goodness-of-fit parameter for significantly intense reflections: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No