Information card for entry 2205446

Structure parameters

• Chemical name: 6'-(4-Phenylpiperazin-1-yl)-1,3,3-trimethyl-2,3-dihydrospiro[1H- indole-2,3'-3H-naphth[2,1-b][1,4]oxazine]
• Formula: C32 H32 N4 O
• Calculated formula: C32 H32 N4 O
• SMILES: O1C2(N(C)c3ccccc3C2(C)C)C=Nc2c3ccccc3c(N3CCN(CC3)c3ccccc3)cc12
• Title of publication: 1,3,3-Trimethyl-6'-(4-phenylpiperazin-1-yl)-2,3-dihydrospiro[1<i>H</i>-indole-2,3'-3<i>H</i>-naphth[2,1-<i>b</i>][1,4]oxazine]
• Authors of publication: Hui Guo; Yong-Bin Gao; Yan-Xia Li; Jie Han; Ji-Ben Meng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o988 - o989
• a: 15.359 ± 0.003 Å
• b: 13.215 ± 0.003 Å
• c: 12.969 ± 0.003 Å
• α: 90°
• β: 99.051 ± 0.003°
• γ: 90°
• Cell volume: 2599.5 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes