Information card for entry 2240376

Structure parameters

• Chemical name: 7,7-Dimethyl-6-methylidenetricyclo[6.2.1.0^1,5^]undecane-2-carboxylic acid
• Formula: C15 H22 O2
• Calculated formula: C15 H22 O2
• SMILES: C(=O)([C@@H]1[C@@]23[C@H](CC1)C(=C)C([C@@H](C2)CC3)(C)C)O
• Title of publication: Crystal structure of 7,7-dimethyl-6-methylidenetricyclo[6.2.1.0^1,5^]undecane-2-carboxylic acid
• Authors of publication: Beghidja, Noureddine; Benayache, Samir; Benayache, Fadila; Knight, David W.; Kariuki, Benson M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o94
• a: 7.64 ± 0.0003 Å
• b: 16.17 ± 0.0005 Å
• c: 21.3406 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2636.39 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes