Information card for entry 2001261

Structure parameters

• Chemical name: cis-cisoid-cis-8,9-dihydroxytricyclo[6.5.0.0^2,7^]tridec-2-yl acetate
• Formula: C15 H24 O4
• Calculated formula: C15 H24 O4
• SMILES: O[C@]12[C@H]3CCCC[C@@]3(OC(=O)C)[C@H]1CCCC[C@@H]2O.O[C@@]12[C@@H]3CCCC[C@]3(OC(=O)C)[C@@H]1CCCC[C@H]2O
• Title of publication: Structural studies of the regioselectivity of bishydroxylation of polycyclic methylenecyclobutanol derivatives
• Authors of publication: Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 2022 - 2027
• a: 14.172 ± 0.003 Å
• b: 12.174 ± 0.002 Å
• c: 11.105 ± 0.002 Å
• α: 65.36 ± 0.01°
• β: 65.09 ± 0.12°
• γ: 63.81 ± 0.01°
• Cell volume: 1495.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections: 0.1681
• Weighted residual factors for significantly intense reflections: 0.1351
• Goodness-of-fit parameter for all reflections: 0.924
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKᾱ
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No