Information card for entry 1552940

Structure parameters

• Chemical name: 5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene <i>S</i>,<i>S</i>-dioxide dichloromethane hemisolvate
• Formula: C69 H50 Cl2 O8 S2
• Calculated formula: C69 H50 Cl2 O8 S2
• Title of publication: 5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene <i>S</i>,<i>S</i>-dioxide dichloromethane hemisolvate
• Authors of publication: Manickam, R.; Jagadeesan, G.; Rafiq, S. Muhamad; Mohanakrishnan, A. K.; Srinivasan, G.
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 11
• Pages of publication: x191394
• a: 13.7369 ± 0.0005 Å
• b: 13.8077 ± 0.0005 Å
• c: 16.4824 ± 0.0006 Å
• α: 78.442 ± 0.002°
• β: 68.211 ± 0.002°
• γ: 80.216 ± 0.002°
• Cell volume: 2828.35 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes