Information card for entry 2003337

Structure parameters

• Chemical name: (R*,R*)-α-(1-Methyl-3-methylenecyclopropyl)-cyclohexanemethanol
• Formula: C12 H20 O
• Calculated formula: C12 H20 O
• SMILES: O[C@H]([C@@]1(CC1=C)C)C1CCCCC1.O[C@@H]([C@]1(CC1=C)C)C1CCCCC1
• 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: 11.29 ± 0.002 Å
• b: 19.433 ± 0.002 Å
• c: 11.782 ± 0.002 Å
• α: 90°
• β: 118.22 ± 0.02°
• γ: 90°
• Cell volume: 2277.7 ± 0.7 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: 0.2353
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No