Information card for entry 4500079

Structure parameters

• Formula: C49 H28 N4 O8
• Calculated formula: C49 H28 N4 O8
• SMILES: C12(c3c(c4c1cc(cc4)c1cc(ccc1)N(=O)=O)ccc(c3)c1cc(ccc1)N(=O)=O)c1c(c3c2cc(cc3)c2cc(ccc2)N(=O)=O)ccc(c1)c1cc(ccc1)N(=O)=O
• Title of publication: Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes
• Authors of publication: Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest
• Journal of publication: Cryst. Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Pages of publication: 1237 - 1245
• a: 12.3873 ± 0.0003 Å
• b: 12.3873 ± 0.0003 Å
• c: 24.1863 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3711.27 ± 0.17 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No