Information card for entry 2203199

Structure parameters

• Chemical name: cis-8-azabicyclo[5.2.0]nonan-9-one
• Formula: C8 H13 N O
• Calculated formula: C8 H13 N O
• SMILES: [C@@H]12CCCCC[C@@H]1NC2=O
• Title of publication: <i>cis</i>-8-Azabicyclo[5.2.0]nonan-9-one
• Authors of publication: Argay, Gyula; 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: o173 - o175
• a: 6.683 ± 0.001 Å
• b: 9.166 ± 0.001 Å
• c: 12.696 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 777.71 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.2144
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.979
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CUkα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes