Information card for entry 2222037

Structure parameters

• Chemical name: 2,8-Dimethyltricyclo[5.3.1.1^3,9^]dodecane-<i>syn</i>-2,<i>syn</i>-8-diol‒ propanoic acid (1/1)
• Formula: C17 H30 O4
• Calculated formula: C17 H30 O4
• Title of publication: 2,8-Dimethyltricyclo[5.3.1.1^3,9^]dodecane-<i>syn</i>-2,<i>syn</i>-8-diol‒propanoic acid (1/1)
• Authors of publication: Mizobe, Yuji; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1241
• a: 7.39 ± 0.004 Å
• b: 13.218 ± 0.005 Å
• c: 18.469 ± 0.008 Å
• α: 90°
• β: 110.23 ± 0.02°
• γ: 90°
• Cell volume: 1692.8 ± 1.4 ų
• Cell temperature: 294 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes