Information card for entry 4029757

Structure parameters

• Formula: C30 H32 N2 O6 S4
• Calculated formula: C30 H32 N2 O6 S4
• Title of publication: Anion receptors containing thiazine-1,1-dioxide heterocycles as hydrogen bond donors.
• Authors of publication: Wang, Hong-Bo; Wisner, James A.; Jennings, Michael C.
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2010
• Journal volume: 6
• Pages of publication: 50
• a: 9.1096 ± 0.0003 Å
• b: 13.0878 ± 0.0005 Å
• c: 14.0139 ± 0.0006 Å
• α: 93.832 ± 0.002°
• β: 101.26 ± 0.002°
• γ: 104.981 ± 0.002°
• Cell volume: 1570.77 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0703
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No