Information card for entry 7218506

Structure parameters

• Formula: C15 H16 N3 O4 S
• Calculated formula: C15 H16 N3 O4 S
• Title of publication: A series of ditopic receptors for succinic acid binding
• Authors of publication: Dey, Swapan; Sain, Dibyendu; Kumar, Ashish; Kumari, Chanda
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 93
• Pages of publication: 51486
• a: 8.085 ± 0.003 Å
• b: 9.738 ± 0.003 Å
• c: 10.671 ± 0.004 Å
• α: 78.516 ± 0.009°
• β: 83.189 ± 0.009°
• γ: 68.866 ± 0.009°
• Cell volume: 766.9 ± 0.5 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: 0.0665
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No