Information card for entry 2202325

Structure parameters

• Chemical name: 3-Isopropylidene-tetracyclo[3.2.0.0^2,7^.0^4,5^]heptane- 1,5,6,7-tetracarboxylic acid tetrakis(tert-butylamide)
• Formula: C30 H48 N4 O4
• Calculated formula: C30 H48 N4 O4
• SMILES: O=C(NC(C)(C)C)C12C3\C(=C(C)/C)C4C1(C4(C23C(=O)NC(C)(C)C)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C
• Title of publication: A tetrakis(secondary amide) derivative of quadricyclane: 3-isopropylidene-tetracyclo[3.2.0.0^2,7^.0^4,6^]heptane-1,5,6,7-tetracarboxylic acid tetrakis(<i>tert</i>-butylamide)
• 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: o1106 - o1107
• a: 9.9831 ± 0.0008 Å
• b: 12.2324 ± 0.001 Å
• c: 13.9644 ± 0.001 Å
• α: 92.574 ± 0.003°
• β: 106.831 ± 0.003°
• γ: 105.554 ± 0.003°
• Cell volume: 1558.5 ± 0.2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes