Information card for entry 2202322

Structure parameters

• Chemical name: 7-isopropylidenenorborna-2,5-diene-2,3,5,6-tetracarboxylic acid tetrakis(diethylamide)
• Formula: C30 H48 N4 O4
• Calculated formula: C30 H48 N4 O4
• SMILES: O=C(N(CC)CC)C1=C(C2C(=C(C1C2=C(C)C)C(=O)N(CC)CC)C(=O)N(CC)CC)C(=O)N(CC)CC
• Title of publication: A tetrakis(tertiary amide) derivative of norbornadiene: 7-isopropylidenenorborna-2,5-diene-2,3,5,6-tetracarboxylic acid tetrakis(diethylamide)
• 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: 8
• Pages of publication: o1101 - o1102
• a: 10.7945 ± 0.0012 Å
• b: 25.449 ± 0.003 Å
• c: 11.671 ± 0.0012 Å
• α: 90°
• β: 106.353 ± 0.003°
• γ: 90°
• Cell volume: 3076.4 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes