Information card for entry 2010665

Structure parameters

• Chemical name: 2,3,3a,4,5a,6,7,8-Octahydro-5a-methyl-6,9-methano-1H,9H-5-oxa-4-azacyclo- penta[c]indene
• Formula: C12 H15 N O
• Calculated formula: C12 H15 N O
• SMILES: O1N=C2[C@@]3([C@]1([C@H]1C=C[C@@H]3C1)C)CCC2.O1N=C2[C@]3([C@@]1([C@@H]1C=C[C@H]3C1)C)CCC2
• Title of publication: 2,3,3a,4,5a,6,7,8-Octahydro-5a-methyl-6,9-methano-1<i>H</i>,9<i>H</i>-5-oxa-4-azacyclopenta[<i>c</i>]indene
• Authors of publication: Tam, William; Handerson, Sean; Ferguson, George
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: e71 - e71
• a: 7.64 ± 0.002 Å
• b: 12.7121 ± 0.0014 Å
• c: 10.2205 ± 0.0007 Å
• α: 90°
• β: 91.668 ± 0.011°
• γ: 90°
• Cell volume: 992.2 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes