Information card for entry 2009900

Structure parameters

• Chemical name: (1R,2R,5(1')S,9R,2'R,4'R,5'S)-2,10,10- triméthyl-3-oxa-6-azatricyclo[7.1.1.0^2,7^]undeca-5-spiro[1'(2',4',5'- triméthylcyclohexane)]-6-ène-4-one
• Formula: C20 H31 N O2
• Calculated formula: C20 H31 N O2
• SMILES: C[C@@H]1C[C@@H](C)[C@]2(C[C@@H]1C)N=C1C[C@H]3C[C@@H]([C@]1(OC2=O)C)C3(C)C
• Title of publication: [1<i>R</i>,2<i>R</i>,5(1')<i>S</i>,9<i>R</i>,2'<i>R</i>,4'<i>R</i>,5'<i>S</i>]-2,10,10-Triméthyl-3-oxa-6-azatricyclo[7,1,1,0^2,7^]undeca-5-spiro[1'(2',4',5'-triméthylcyclohexane)]-6-ène-4-one
• Authors of publication: Chiaroni, A.; Riche, C.; Lavergne, J.-P.; Sadoune, M.; Viallefont, P.; Vidal, Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1122 - 1124
• a: 6.241 ± 0.006 Å
• b: 7.319 ± 0.007 Å
• c: 10.505 ± 0.015 Å
• α: 84.65 ± 0.03°
• β: 94.83 ± 0.02°
• γ: 100.8 ± 0.03°
• Cell volume: 468.2 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 0.98
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No