Information card for entry 2203695

Structure parameters

• Formula: C33 H24 N4 O4
• Calculated formula: C33 H24 N4 O4
• SMILES: N#Cc1ccc(OCC(COc2ccc(cc2)C#N)(COc2ccc(cc2)C#N)COc2ccc(cc2)C#N)cc1
• Title of publication: Tetrakis[(4-cyanophenoxy)methyl]methane
• Authors of publication: Wei Xu; Yin-Xiang Lu; Chun-Ming Liu; Peng Guo; Bi-Jian Lan; Hui Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o1049 - o1050
• a: 11.2069 ± 0.0017 Å
• b: 12.703 ± 0.002 Å
• c: 20.75 ± 0.003 Å
• α: 90°
• β: 101.003 ± 0.002°
• γ: 90°
• Cell volume: 2899.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes