Information card for entry 2008822

Structure parameters

• Formula: C15 H19 N O2
• Calculated formula: C15 H19 N O2
• SMILES: O=C1N2[C@@]3(OC[C@@H]4[C@@H]5C=C[C@H]([C@H]24)C5)CCC[C@H]3C1.O=C1N2[C@]3(OC[C@H]4[C@H]5C=C[C@@H]([C@@H]24)C5)CCC[C@@H]3C1
• Title of publication: Two isomers of 1,4a,5,7,8,9,9a,10,11,12a-decahydro-1,4-methanocyclopenta[<i>b</i>]pyrrolo[1,6a-<i>a</i>][3,1]benzoxazin-11-one
• Authors of publication: Stájer, Géza; Virág, Miklós; Sillanpää, Reijo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1342 - 1344
• a: 8.7236 ± 0.0018 Å
• b: 9.748 ± 0.003 Å
• c: 8.134 ± 0.0019 Å
• α: 98.28 ± 0.02°
• β: 109.745 ± 0.016°
• γ: 100.48 ± 0.02°
• Cell volume: 624.2 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No