Information card for entry 7105665

Structure parameters

• Formula: C25 H28 N2 O12 S2
• Calculated formula: C25 H28 N2 O12 S2
• Title of publication: A photoreactive crystalline quasiracemate.
• Authors of publication: Grove, Rebecca C.; Malehorn, Steven H.; Breen, Meghan E.; Wheeler, Kraig A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 39
• Pages of publication: 7322 - 7324
• a: 7.2486 ± 0.0002 Å
• b: 8.1094 ± 0.0002 Å
• c: 11.8857 ± 0.0003 Å
• α: 89.015 ± 0.002°
• β: 82.881 ± 0.002°
• γ: 83.67 ± 0.002°
• Cell volume: 689.05 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No