Information card for entry 2200331

Structure parameters

• Chemical name: 8-Oxa-1-aza-7-phenylbicyclo[5.2.1]decane-9,10-dione
• Formula: C14 H15 N O3
• Calculated formula: C14 H15 N O3
• SMILES: N12CCCCC[C@](c3ccccc3)(OC1=O)C2=O
• Title of publication: 8-Oxa-1-aza-7-phenylbicyclo[5.2.1]decane-9,10-dione
• Authors of publication: Kubicki, Maciej; Codding, Penelope W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: o406 - o407
• a: 6.7112 ± 0.0008 Å
• b: 10.4414 ± 0.0008 Å
• c: 17.687 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1239.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes