Information card for entry 7206357

Structure parameters

• Formula: C29 H24 N4 O12
• Calculated formula: C29 H24 N4 O12
• SMILES: C(COc1ccc(cc1)N(=O)=O)(COc1ccc(cc1)N(=O)=O)(COc1ccc(cc1)N(=O)=O)COc1ccc(cc1)N(=O)=O
• Title of publication: Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers
• Authors of publication: Dominic Laliberté; Thierry Maris; James D. Wuest
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Pages of publication: 158 - 160
• a: 18.2426 ± 0.0005 Å
• b: 18.2426 ± 0.0005 Å
• c: 8.5167 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2834.29 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No