Information card for entry 2007949

Structure parameters

• Chemical name: 4,7,7,12-Tetramethyl-2-oxa-tricyclo[6.4.0.0 ^4,9^]dodecane-3(R),12(R)-diol
• Formula: C15 H26 O3
• Calculated formula: C15 H26 O3
• SMILES: [C@H]12[C@@H]3[C@](CC[C@H]1[C@](C)(CCC2(C)C)[C@@H](O3)O)(C)O
• Title of publication: (3<i>R</i>,12<i>R</i>)-4,7,7,12-Tétraméthyl-2-oxatricyclo[6,4,0,0^4,9^]dodécane-3,12-diol. Produit de Réarrangement d'un Diépoxyde d'α-<i>cis</i>-Himachalène
• Authors of publication: Chiaroni, Angèle; Riche, Claude; Lassaba, Essediya; Benharref, Ahmed
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1964 - 1965
• a: 7.449 ± 0.003 Å
• b: 10.724 ± 0.004 Å
• c: 17.733 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1416.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.1325
• Weighted residual factors for significantly intense reflections: 0.1112
• Goodness-of-fit parameter for all reflections: 1.09
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes