Information card for entry 2238320

Structure parameters

• Chemical name: 1,10,10-Trimethyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-4-en-2-ol
• Formula: C17 H21 N O2
• Calculated formula: C17 H21 N O2
• SMILES: C[C@@]12CC[C@H](C2(C)C)[C@@H]2[C@@]1(O)ON=C2c1ccccc1
• Title of publication: 1,10,10-Trimethyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-4-en-2-ol
• Authors of publication: Boualy, Brahim; Harrad, Mohamed Anouar; Oudahmane, Abdelghani; Benharref, Ahmed; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1314
• a: 22.1681 ± 0.0018 Å
• b: 6.6134 ± 0.0005 Å
• c: 10.7358 ± 0.0008 Å
• α: 90°
• β: 108.277 ± 0.003°
• γ: 90°
• Cell volume: 1494.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No