Information card for entry 2237774

Structure parameters

• Chemical name: (1<i>R</i>,2<i>S</i>,4<i>S</i>,4a<i>S</i>,8<i>S</i>,8a<i>S</i>)-4-Hydroxy-8,8a-dimethyl-10-oxo-2,3,4,7,8,8a-hexahydro-1<i>H</i>- 4a,1-(epoxymethano)naphthalen-2-yl acetate
• Formula: C15 H20 O5
• Calculated formula: C15 H20 O5
• SMILES: CC(=O)O[C@H]1C[C@H](O)[C@]23[C@@]([C@H]1C(=O)O2)(C)[C@@H](C)CC=C3
• Title of publication: (1<i>R</i>,2<i>S</i>,4<i>S</i>,4a<i>S</i>,8<i>S</i>,8a<i>S</i>)-4-Hydroxy-8,8a-dimethyl-10-oxo-2,3,4,7,8,8a-hexahydro-1<i>H</i>-4a,1-(epoxymethano)naphthalen-2-yl acetate
• Authors of publication: Selaïmia-Ferdjani, Ouassila; Bidjou-Haiour, Chahra; Planchat, Aurelien; Pipelier, Muriel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o938 - o939
• a: 10.3312 ± 0.001 Å
• b: 7.1692 ± 0.0008 Å
• c: 10.8502 ± 0.0006 Å
• α: 90°
• β: 115.958 ± 0.005°
• γ: 90°
• Cell volume: 722.56 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.84
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes