Information card for entry 2001109

Structure parameters

• Formula: C17 H24 O
• Calculated formula: C17 H24 O
• SMILES: CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C
• Title of publication: Crystal studies of musk compounds. IV. Structure of 4-acetyl-6-<i>tert</i>-butyl-1,1-dimethylindan (musk celestolide)
• Authors of publication: De Ridder, D. J. A.; Schenk, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 140 - 142
• a: 10.16 ± 0.002 Å
• b: 12.23 ± 0.002 Å
• c: 12.796 ± 0.001 Å
• α: 105.735 ± 0.006°
• β: 99.58 ± 0.02°
• γ: 90.09 ± 0.01°
• Cell volume: 1507.2 ± 0.5 ų
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No