Information card for entry 4500253

Structure parameters

• Formula: C34 H27 N3 O4
• Calculated formula: C34 H27 N3 O4
• SMILES: c12C(=O)N(C(=O)c1cccc2)CCc1cc(c(cc1)O)O.n1c2c(cccc2)ccc1.c12c(cccn1)cccc2
• 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: 8.665 ± 0.0017 Å
• b: 12.644 ± 0.002 Å
• c: 12.964 ± 0.002 Å
• α: 77.925 ± 0.009°
• β: 86.183 ± 0.008°
• γ: 87.733 ± 0.009°
• Cell volume: 1385.4 ± 0.4 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: 0.0907
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No