Information card for entry 2203502

Structure parameters

• Chemical name: 2-(Adamantan-1-yl)-5-methylbenzo[d][1,3]oxazin-4-one
• Formula: C19 H21 N O2
• Calculated formula: C19 H21 N O2
• Title of publication: 2-(Adamantan-1-yl)-5-methylbenzo[<i>d</i>][1,3]oxazin-4-one
• Authors of publication: Jonathan D Crane; Eleanor Rogerson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o669 - o670
• a: 8.3514 ± 0.0012 Å
• b: 6.7324 ± 0.0005 Å
• c: 13.3203 ± 0.0019 Å
• α: 90°
• β: 104.275 ± 0.011°
• γ: 90°
• Cell volume: 725.81 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes