Information card for entry 2011209

Structure parameters

• Chemical name: 3,6,9,16,19,22-hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26,27, 29-hexaene pentahydrate
• Formula: C24 H48 N6 O5
• Calculated formula: C24 H48 N6 O5
• Title of publication: 3,6,9,16,19,22-Hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26(1),27,29-hexaene pentahydrate
• Authors of publication: He, Wei-jiang; Ye, Zi-feng; Xu, Yan; Guo, Zi-jian; Zhu, Long-Gen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 1019 - 1020
• a: 7.451 ± 0.003 Å
• b: 19.709 ± 0.006 Å
• c: 18.587 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2729.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes