Information card for entry 2009741

Structure parameters

• Chemical name: 4-acetyl-1,1,3,3,5,6-hexamethylindan
• Formula: C17 H24 O
• Calculated formula: C17 H24 O
• SMILES: CC(=O)c1c(C)c(C)cc2c1C(C)(C)CC2(C)C
• Title of publication: Crystal studies of musk compounds. IX. 4-Acetyl-1,1,3,3,5,6-hexamethylindan
• Authors of publication: De Ridder, Dirk J.A.; Fraanje, Jan; Schenk, Henk
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 753 - 755
• a: 10.213 ± 0.002 Å
• b: 8.151 ± 0.001 Å
• c: 17.671 ± 0.003 Å
• α: 90°
• β: 94.83 ± 0.02°
• γ: 90°
• Cell volume: 1465.8 ± 0.4 ų
• Cell temperature: 196 K
• Ambient diffraction temperature: 196 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 all reflections: 0.05
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for all reflections: 0.159
• Goodness-of-fit parameter for significantly intense reflections: 0.159
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No