Information card for entry 2216980

Structure parameters

• Chemical name: (5<i>S</i>,6S,10<i>R</i>)-10-(2,4-Dichlorophenyl)-14-[(<i>E</i>)-(2,4- dichlorophenyl)methylidene]-3,9-diphenyl-12-[(<i>R</i>)-1-phenylethyl]- 1,4,7-trioxa-2,8,12-triazadispiro[4.0.4.4]tetradeca-2,8-diene
• Formula: C41 H31 Cl4 N3 O3
• Calculated formula: C41 H31 Cl4 N3 O3
• SMILES: C1C(=C\c2ccc(cc2Cl)Cl)/[C@]2([C@@]3(CN1[C@H](C)c1ccccc1)[C@@H](C(=NO3)c1ccccc1)c1ccc(cc1Cl)Cl)OC(=NO2)c1ccccc1
• Title of publication: (5<i>S</i>,6<i>S</i>,10<i>R</i>)-10-(2,4-Dichlorophenyl)-14-[(<i>E</i>)-(2,4-dichlorophenyl)methylidene]-3,9-diphenyl-12-[(<i>R</i>)-1-phenylethyl]-1,4,7-trioxa-2,8,12-triazadispiro[4.0.4.4]tetradeca-2,8-diene
• Authors of publication: S. Mahalakshmi; R. Suresh Kumar; S. Perumal; V. Sivakumar; J. Suresh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o199 - o200
• a: 13.302 ± 0.006 Å
• b: 12.551 ± 0.009 Å
• c: 22.65 ± 0.011 Å
• α: 90°
• β: 105.55 ± 0.04°
• γ: 90°
• Cell volume: 3643 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1827
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes