Information card for entry 2101206

Structure parameters

• Chemical name: 6-acetyl-2-ethyl-1,1,3,3,5-pentamethylindan
• Formula: C18 H26 O
• Calculated formula: C18 H26 O
• SMILES: C1(C(C(c2cc(c(cc12)C)C(=O)C)(C)C)CC)(C)C
• Title of publication: Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid
• Authors of publication: De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 607 - 616
• a: 7.057 ± 0.001 Å
• b: 14.317 ± 0.001 Å
• c: 16.047 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1621.3 ± 0.3 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P 21 a b
• Hall space group symbol: P -2b 2a
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for all reflections: 0.118
• Weighted residual factors for significantly intense reflections: 0.118
• Goodness-of-fit parameter for all reflections: 0.352
• Goodness-of-fit parameter for significantly intense reflections: 0.352
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No