Information card for entry 4504264

Structure parameters

• Formula: C30 H20.66667 N4.66667 O8.66667
• Calculated formula: C30 H20.6667 N4.66667 O8.66667
• SMILES: c12ccc3C(=O)N(C(=O)c4c3c2c(C(=O)N(C1=O)c1ccc(cc1C)N(=O)=O)cc4)c1c(cc(cc1)N(=O)=O)C.C(=O)N(C)C
• 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: 11.405 ± 0.002 Å
• b: 12.457 ± 0.002 Å
• c: 15.885 ± 0.003 Å
• α: 90.911 ± 0.003°
• β: 100.914 ± 0.003°
• γ: 115.482 ± 0.002°
• Cell volume: 1988.3 ± 0.6 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: 0.2532
• Residual factor for significantly intense reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.2653
• Weighted residual factors for all reflections included in the refinement: 0.369
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No