Information card for entry 2017771

Structure parameters

• Chemical name: 2,2,2-Trifluoro-<i>N</i>-(1a,2,7,7a-tetrahydronaphtho[2,3-<i>b</i>]oxiren- 3-yl)acetamide
• Formula: C12 H10 F3 N O2
• Calculated formula: C12 H10 F3 N O2
• SMILES: FC(F)(F)C(=O)Nc1cccc2c1C[C@H]1O[C@H]1C2.FC(F)(F)C(=O)Nc1cccc2c1C[C@@H]1O[C@@H]1C2
• Title of publication: \ 2,2,2-Trifluoro-<i>N</i>-(1a,2,7,7a-tetrahydronaphtho[2,3-<i>b</i>]oxiren-3-yl)\ acetamide by X-ray powder diffraction
• Authors of publication: Rukiah, Mwaffak; Assaad, Thaer
• Journal of publication: Acta Crystallographica, Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o475 - o478
• a: 8.0594 ± 0.0005 Å
• b: 8.8122 ± 0.0005 Å
• c: 15.9964 ± 0.0009 Å
• α: 90°
• β: 99.4514 ± 0.0007°
• γ: 90°
• Cell volume: 1120.66 ± 0.11 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 1.27
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No