Information card for entry 2007164

Structure parameters

• Formula: C20 H23 N O
• Calculated formula: C20 H23 N O
• SMILES: O=C(CC12CC3(C[C@@H](C[C@H](C1)C3)C2)C)c1ccc(cc1)C#N
• 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: 12.021 ± 0.003 Å
• b: 20.149 ± 0.003 Å
• c: 6.655 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1611.9 ± 0.7 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• 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: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No