Information card for entry 8102638

Structure parameters

• Common name: 4^4^,15^4^,25^4^,30^4^-tetraoxy-1,7,12,18-tetra-aza‒3,14,24,29-\ tetramethylbenzena-tetracyclo
• Chemical name: 4^4^,15^4^,25^4^,30^4^-tetraoxy-1,7,12,18-tetra-aza‒3,14,24,29-\ tetramethylbenzena-tetracyclo
• Formula: C44 H56 N4 O4
• Calculated formula: C44 H56 N4 O4
• Title of publication: Crystal structure of 7,15,23,31-tetramethyl-3,11,19,27-tetraazopentacyclo[27.16.1611.27.4.411.27.3.35.9.313.17.321.25.1.15.9.113.17.121.25]triaconta-1(32),5,7,9(34),13,15,17(35),21,23,25(36),29(33),30-dodecaarene-33,34,35,36-tetraol, C44H56N4O4
• Authors of publication: Wei-Jie Gong; Jin Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 241
• a: 23.2157 ± 0.0016 Å
• b: 14.0445 ± 0.0009 Å
• c: 13.0638 ± 0.001 Å
• α: 90°
• β: 118.413 ± 0.009°
• γ: 90°
• Cell volume: 3746.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2135
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No