Information card for entry 4500252

Structure parameters

• Formula: C16 H15 N O5
• Calculated formula: C16 H15 N O5
• SMILES: O=C1N(C(=O)c2ccccc12)CCc1cc(O)c(O)cc1.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: 26.316 ± 0.011 Å
• b: 7.329 ± 0.004 Å
• c: 7.737 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1492.2 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No