Information card for entry 2205139

Structure parameters

• Chemical name: 2-Methyl-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol
• Formula: C17 H24 O
• Calculated formula: C17 H24 O
• SMILES: Oc1c([C@H]2[C@@]3(CC[C@H](C2)C3(C)C)C)cccc1C.Oc1c([C@@H]2[C@]3(CC[C@@H](C2)C3(C)C)C)cccc1C
• Title of publication: 2-Methyl-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol
• Authors of publication: Oleg Ya. Borbulevych
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o378 - o379
• a: 7.252 ± 0.004 Å
• b: 7.442 ± 0.004 Å
• c: 13.43 ± 0.008 Å
• α: 93.49 ± 0.05°
• β: 98.74 ± 0.05°
• γ: 94.56 ± 0.05°
• Cell volume: 712.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes