Information card for entry 4500249

Structure parameters

• Formula: C36 H30 N4 O8
• Calculated formula: C36 H30 N4 O8
• SMILES: C1(=O)c2cc3c(C(=O)N(C3=O)CCc3cc(O)c(O)cc3)cc2C(=O)N1CCc1cc(O)c(O)cc1.n1ccccc1.n1ccccc1
• 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: 14.9497 ± 0.0005 Å
• b: 8.8863 ± 0.0003 Å
• c: 12.1128 ± 0.0004 Å
• α: 90°
• β: 98.096 ± 0.002°
• γ: 90°
• Cell volume: 1593.12 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No