Information card for entry 4504263

Structure parameters

• Formula: C28 H20 N4 O10
• Calculated formula: C28 H20 N4 O10
• SMILES: c1c2c3c(ccc4c3c(c1)C(=O)OC4=O)C(=O)OC2=O.c1(ccc(c(c1)C)N)N(=O)=O.c1(ccc(c(c1)C)N)N(=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: 8.307 ± 0.002 Å
• b: 8.894 ± 0.002 Å
• c: 9.179 ± 0.002 Å
• α: 110.23 ± 0.004°
• β: 103.873 ± 0.005°
• γ: 97.109 ± 0.005°
• Cell volume: 601.7 ± 0.2 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: 0.1396
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2227
• Weighted residual factors for all reflections included in the refinement: 0.3243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No