Information card for entry 2003208

Structure parameters

• Formula: C15 H24 O
• Calculated formula: C15 H24 O
• SMILES: C[C@@H]1CC[C@]23C[C@H]1C(C)(C)[C@H]2CCCC3=O
• Title of publication: (±)-7,7,9β-Trimethyl-6(αH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one
• Authors of publication: Mukherjee, Monika; Mukherjee, Alok K.; Das, Sarbani; Mukherjee, Debabrata; Helliwell, Madeleine
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 2
• Pages of publication: 280 - 282
• a: 9.958 ± 0.003 Å
• b: 9.961 ± 0.004 Å
• c: 12.978 ± 0.006 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 1287.3 ± 0.9 ų
• Cell temperature: 294 ± 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 significantly intense reflections: 0.0502
• Weighted residual factors for all reflections: 0.1312
• Weighted residual factors for significantly intense reflections: 0.1217
• Goodness-of-fit parameter for all reflections: 0.874
• Goodness-of-fit parameter for significantly intense reflections: 0.841
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No