Information card for entry 2007162

Structure parameters

• Formula: C18 H21 F O
• Calculated formula: C18 H21 F O
• SMILES: Fc1ccc(C(=O)CC23CC4CC(CC(C2)C4)C3)cc1
• Title of publication: Structure and Photochemistry of Four Adamantylacetophenones
• Authors of publication: Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 491 - 496
• a: 12.802 ± 0.003 Å
• b: 11.181 ± 0.003 Å
• c: 20.281 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2903 ± 1.1 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No