Information card for entry 2201854

Structure parameters

• Chemical name: 3-(2,6-Dichlorophenyl)-8-ethyl-4-phenyl-1-oxa-6-thia-2,8-diazaspiro[4.4]non- 2-ene-7,9-dione
• Formula: C19 H14 Cl2 N2 O3 S
• Calculated formula: C19 H14 Cl2 N2 O3 S
• SMILES: S1C(=O)N(C(=O)[C@@]21ON=C([C@@H]2c1ccccc1)c1c(Cl)cccc1Cl)CC.S1C(=O)N(C(=O)[C@]21ON=C([C@H]2c1ccccc1)c1c(Cl)cccc1Cl)CC
• Title of publication: 3-(2,6-Dichlorophenyl)-8-ethyl-4-phenyl-1-oxa-6-thia-2,8-diazaspiro[4.4]non-2-ene-7,9-dione
• Authors of publication: Li, Xiao-Fang; Feng, Ya-Qing; Gu, Yun-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o330 - o331
• a: 10.0339 ± 0.0009 Å
• b: 12.5618 ± 0.0012 Å
• c: 30.22 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3809 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes