Information card for entry 2203198

Structure parameters

• Chemical name: cis-7-azabicyclo[4.2.0]octan-8-one
• Formula: C7 H11 N O
• Calculated formula: C7 H11 N O
• SMILES: O=C1N[C@@H]2[C@H]1CCCC2.O=C1N[C@H]2[C@@H]1CCCC2
• Title of publication: <i>cis</i>-7-Azabicyclo[4.2.0]octan-8-one
• Authors of publication: Argay, Gyula; Fábián, László; Kálmán, Alajos; Bernáth, Gábor; Cs. Gyarmati, Zsuzsanna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o170 - o172
• a: 11.333 ± 0.001 Å
• b: 6.474 ± 0.001 Å
• c: 10.181 ± 0.001 Å
• α: 90°
• β: 112 ± 0.01°
• γ: 90°
• Cell volume: 692.59 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.304
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes