Information card for entry 2204967

Structure parameters

• Chemical name: tert-Butyl 3-oxospiro[indan-1,4'-piperidine]-1'-carboxylate
• Formula: C18 H23 N O3
• Calculated formula: C18 H23 N O3
• SMILES: O=C1c2ccccc2C2(C1)CCN(CC2)C(=O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl 3-oxospiro[indan-1,4'-piperidine]-1'-carboxylate
• Authors of publication: Zheng, Pengwu; Li, Chunbao; Wang, Wei; Zhao, Bing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o10 - o11
• a: 12.998 ± 0.006 Å
• b: 15.198 ± 0.006 Å
• c: 8.543 ± 0.004 Å
• α: 90°
• β: 102.85 ± 0.008°
• γ: 90°
• Cell volume: 1645.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes