Information card for entry 2007120

Structure parameters

• Common name: O-methyldehydronorcacalol
• Formula: C15 H18 O3
• Calculated formula: C15 H18 O3
• SMILES: Oc1c(c(c2[C@H](CC=Cc2c1OC)C)C)C(=O)C
• Title of publication: <i>O</i>-Methyldehydronorcacalol
• Authors of publication: Parvez, Masood; Kulanthaivel, Palaniappan; Benn, Michael H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: IUC9800005
• a: 9.5229 ± 0.0011 Å
• b: 9.5229 ± 0.0011 Å
• c: 14.736 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1336.3 ± 0.3 ų
• Cell temperature: 170 ± 1 K
• Ambient diffraction temperature: 170 ± 1 K
• Number of distinct elements: 3
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No