Information card for entry 2202175

Structure parameters

• Chemical name: 3-[3,3-Dimethylspiro[2,3-dihydro-1H-indole-2,3'-(3'H-naphtho[2,1-b] [1,4]oxazine)]-1-yl]propionic acid
• Formula: C24 H22 N2 O3
• Calculated formula: C24 H22 N2 O3
• SMILES: O1c2c(c3ccccc3cc2)N=CC21N(c1c(C2(C)C)cccc1)CCC(=O)O
• Title of publication: 3-{3,3-Dimethylspiro[2,3-dihydro-1<i>H</i>-indole-2,3'-(3'<i>H</i>-naphtho[2,1-<i>b</i>][1,4]oxazin)]-1-yl}propionic acid
• Authors of publication: Gao, Yu; Zou, Wuxin; Zhang, Wanxuan; Li, Jinshui; Meng, Jiben
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o135 - o137
• a: 13.373 ± 0.005 Å
• b: 11.527 ± 0.004 Å
• c: 13.485 ± 0.005 Å
• α: 90°
• β: 111.538 ± 0.006°
• γ: 90°
• Cell volume: 1933.6 ± 1.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes