Information card for entry 7112525

Structure parameters

• Formula: C28 H34 N2 O12 S2
• Calculated formula: C28 H34 N2 O12 S2
• Title of publication: Valine sulfonamidecinnamic acid asymmetric crystal reactions.
• Authors of publication: Wheeler, Kraig A.; Malehorn, Steven H.; Egan, Annie E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 519 - 521
• a: 7.4391 ± 0.0003 Å
• b: 7.6719 ± 0.0003 Å
• c: 15.0529 ± 0.0007 Å
• α: 88.371 ± 0.003°
• β: 85.421 ± 0.003°
• γ: 61.552 ± 0.002°
• Cell volume: 752.91 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0888
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No