Information card for entry 2214443

Structure parameters

• Chemical name: 1,1-Dichloro-3-(6,1,3-oxadithiaoctocan-2-ylidene)-3-nitro- 2-(4-methylphenylsulfanyl)propene
• Formula: C15 H15 Cl2 N O3 S3
• Calculated formula: C15 H15 Cl2 N O3 S3
• SMILES: S1C(=C(N(=O)=O)C(=C(Cl)Cl)Sc2ccc(cc2)C)SCCOCC1
• Title of publication: 1,1-Dichloro-3-(6,1,3-oxadithiaoctocan-2-ylidene)-3-nitro-2-(4-methylphenylsulfanyl)propene
• Authors of publication: Ibis, Cemil; Deniz, N.Gulsah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3058 - o3058
• a: 13.5112 ± 0.0005 Å
• b: 18.0213 ± 0.0006 Å
• c: 7.5559 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1839.78 ± 0.1 ų
• Cell temperature: 293.5 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes