Information card for entry 4500248

Structure parameters

• Formula: C30 H32 N2 O10 S2
• Calculated formula: C30 H32 N2 O10 S2
• Title of publication: Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives
• Authors of publication: Singh, Devendra; Baruah, Jubaraj B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 768
• a: 9.4527 ± 0.0005 Å
• b: 9.474 ± 0.0004 Å
• c: 9.7186 ± 0.0004 Å
• α: 104.394 ± 0.003°
• β: 101.121 ± 0.003°
• γ: 106.048 ± 0.003°
• Cell volume: 777.52 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1029
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.228
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No