Information card for entry 2202316

Structure parameters

• Chemical name: 7-Isopropylidenenorborna-2,5-diene-2,3,5,6-tetracarboxylic acid tetrakis(phenylamide)
• Formula: C38 H32 N4 O4
• Calculated formula: C38 H32 N4 O4
• SMILES: CC(=C1C2C(=C(C1C(=C2C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)C
• Title of publication: A tetrakis(secondary amide) derivative of norbornadiene: 7-isopropylidene-<i>N,N</i>',<i>N</i>'',<i>N</i>'''-tetraphenylnorborna-2,5-diene-2,3,5,6-tetracarboxamide
• Authors of publication: Winkler, Torsten; Herges, Rainer; Jones, Peter G.; Dix, Ina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o994 - o996
• a: 26.8424 ± 0.0016 Å
• b: 7.8024 ± 0.0006 Å
• c: 14.8652 ± 0.001 Å
• α: 90°
• β: 104.708 ± 0.003°
• γ: 90°
• Cell volume: 3011.3 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes