Information card for entry 2010141

Structure parameters

• Formula: C14 H15 N O
• Calculated formula: C14 H15 N O
• SMILES: [C@@H]12[C@@H]3ON=C([C@@H]3[C@@H](CC1)C2)c1ccccc1.[C@H]12[C@H]3ON=C([C@H]3[C@H](CC1)C2)c1ccccc1
• Title of publication: 5-Phenyl-3-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-4-ene
• Authors of publication: Thiruvalluvar, A.; Parthasarathi, V.; Nagarajan, A.; Pillay, M.K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1812 - 1814
• a: 12.456 ± 0.008 Å
• b: 6.279 ± 0.002 Å
• c: 14.409 ± 0.003 Å
• α: 90°
• β: 92.19 ± 0.03°
• γ: 90°
• Cell volume: 1126.1 ± 0.8 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for significantly intense reflections: 2.49
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No