Information card for entry 2011169

Structure parameters

• Chemical name: (1R,4bS,8aR)-(1,2,3,4b,5,6,7,8,8a,9a-Decahydro-4,9a-diazafluoren-1-yl)methanol
• Formula: C12 H20 N2 O
• Calculated formula: C12 H20 N2 O
• SMILES: OC[C@@H]1N2C(=NCC1)[C@H]1CCCC[C@H]1C2
• Title of publication: (1<i>R</i>,4b<i>S</i>,8a<i>R</i>)-(1,2,3,4b,5,6,7,8,8a,9a-Decahydro-4,9a-diazafluoren-1-yl)methanol
• Authors of publication: Kooijman, Huub; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: e295 - e296
• a: 8.4691 ± 0.0009 Å
• b: 10.3985 ± 0.0008 Å
• c: 12.4538 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1096.8 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.089
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes