Information card for entry 2000774

Structure parameters

• Formula: C13 H16 O3
• Calculated formula: C13 H16 O3
• SMILES: [C@@]12([C@@H]3C(=O)C=C(OC)[C@H](O)[C@@H]3[C@H](C=C1)C2)C.[C@]12([C@H]3C(=O)C=C(OC)[C@@H](O)[C@H]3[C@@H](C=C1)C2)C
• Title of publication: Three substituted hexahydro-5,8-dimethanonaphthalenes
• Authors of publication: Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Lu, S.-P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 1290 - 1294
• a: 10.827 ± 0.004 Å
• b: 8.395 ± 0.002 Å
• c: 12.997 ± 0.002 Å
• α: 90°
• β: 105.34 ± 0.02°
• γ: 90°
• Cell volume: 1139.2 ± 0.5 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No