Information card for entry 4500247

Structure parameters

• Formula: C32 H34 N4 O10
• Calculated formula: C32 H34 N4 O10
• SMILES: C(c1cc(O)c(O)cc1)CN1C(=O)c2c(cc3C(=O)N(C(=O)c3c2)CCc2cc(O)c(O)cc2)C1=O.O=CN(C)C.N(C)(C)C=O
• 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: 6.3217 ± 0.0002 Å
• b: 8.5303 ± 0.0003 Å
• c: 15.5713 ± 0.0006 Å
• α: 80.929 ± 0.002°
• β: 89.67 ± 0.002°
• γ: 69.818 ± 0.002°
• Cell volume: 777.21 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No