Information card for entry 2004933

Structure parameters

• Formula: C17 H24 O2
• Calculated formula: C17 H24 O2
• SMILES: O=C1[C@@]23CCCCCCC[C@H]1[C@H]1O[C@@]2(C=C1)CCC3.O=C1[C@]23CCCCCCC[C@@H]1[C@@H]1O[C@]2(C=C1)CCC3
• Title of publication: (±)-(3a<i>R</i>*,6<i>S</i>*,7<i>S</i>*,14a<i>R</i>*)-2,3,3a,7,8,9,10,11,12,13,14,14a-Dodecahydro-1<i>H</i>,6<i>H</i>-3a,6-epoxy-7,14a-methanocyclopentacyclotridecen-15-one
• Authors of publication: Harmata, M.; Elomari, S.; Barnes, C. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1209 - 1211
• a: 31.208 ± 0.002 Å
• b: 8.7588 ± 0.0004 Å
• c: 10.9435 ± 0.0011 Å
• α: 90°
• β: 101.706 ± 0.003°
• γ: 90°
• Cell volume: 2929.1 ± 0.4 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.09
• Goodness-of-fit parameter for significantly intense reflections: 3.18
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No