Information card for entry 2206942

Structure parameters

• Chemical name: 7-(Benzyloxy)spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one
• Formula: C20 H21 N O3
• Calculated formula: C20 H21 N O3
• SMILES: O=C1NC2(Oc3c1ccc(OCc1ccccc1)c3)CCCCC2
• Title of publication: 7-(Benzyloxy)spiro[2<i>H</i>-1,3-benzoxazine-2,1'-cyclohexan]-4(3<i>H</i>)-one
• Authors of publication: Shan-Zhong Jian; Ming Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3252 - o3253
• a: 6.0904 ± 0.0002 Å
• b: 8.9171 ± 0.0003 Å
• c: 30.8699 ± 0.0008 Å
• α: 90°
• β: 93.147 ± 0.001°
• γ: 90°
• Cell volume: 1673.98 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes