Information card for entry 4504265

Structure parameters

• Formula: C32 H26 N2 O12
• Calculated formula: C32 H26 N2 O12
• SMILES: c12c3C(=O)OC(=O)c2ccc2c1c(cc3)C(=O)OC2=O.C1OCCOC1.Nc1cccc(c1)C(=O)O.c1(cccc(c1)N)C(=O)O
• Title of publication: The Role of Cocrystals in Solid-State Synthesis: Cocrystal-Controlled Solid-State Synthesis of Imides
• Authors of publication: Cheney, Miranda L.; McManus, Gregory J.; Perman, Jason A.; Wang, Zhenqiang; Zaworotko, Michael J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 616
• a: 7.006 ± 0.002 Å
• b: 9.99 ± 0.003 Å
• c: 10.19 ± 0.004 Å
• α: 83.081 ± 0.007°
• β: 81.603 ± 0.007°
• γ: 76.866 ± 0.008°
• Cell volume: 684.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0959
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No