Information card for entry 2221669

Structure parameters

• Chemical name: Ethyl 3'-(2,4-dichlorophenyl)-5'-hydroxy-5'-methyl-4',5'- dihydrospiro[fluorene-9,2'(3'<i>H</i>)-furan]-4'-carboxylate
• Formula: C26 H22 Cl2 O4
• Calculated formula: C26 H22 Cl2 O4
• SMILES: Clc1c([C@H]2[C@@H]([C@@](OC32c2ccccc2c2ccccc32)(O)C)C(=O)OCC)ccc(Cl)c1.Clc1c([C@@H]2[C@H]([C@](OC32c2ccccc2c2ccccc32)(O)C)C(=O)OCC)ccc(Cl)c1
• Title of publication: Ethyl 3'-(2,4-dichlorophenyl)-5'-hydroxy-5'-methyl-4',5'-dihydrospiro[fluorene-9,2'(3'<i>H</i>)-furan]-4'-carboxylate
• Authors of publication: NizamMohideen, M.; Thenmozhi, S.; SubbiahPandi, A.; Savitha, G.; Perumal, P. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o977 - o978
• a: 28.6811 ± 0.0013 Å
• b: 9.06 ± 0.0004 Å
• c: 17.4074 ± 0.0008 Å
• α: 90°
• β: 92.072 ± 0.003°
• γ: 90°
• Cell volume: 4520.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes