Information card for entry 2009966

Structure parameters

• Formula: C16 H19 N O
• Calculated formula: C16 H19 N O
• SMILES: O=C([C@@]12C[C@]3([C@@H]1CC[C@@]23C)C)Nc1ccccc1
• Title of publication: (1<i>S</i>,2<i>S</i>,5<i>R</i>,6<i>S</i>)-(+)-6-Carbanilino-1,5-dimethyltricyclo[3.2.0.0^2,6^]heptane
• Authors of publication: Jong, Ting-Ting; Jean, Meei-Yueh; Lu, Ta-Jung
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1359 - 1362
• a: 12.454 ± 0.003 Å
• b: 13.106 ± 0.004 Å
• c: 26.755 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4367 ± 2 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.0674
• Goodness-of-fit parameter for significantly intense reflections: 1.92
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No