Information card for entry 2006794

Structure parameters

• Chemical name: 36,37,38-Trimethoxy-5,10,15-trimethyl-22,25,30,33-tetraoxa-1,19-diazapentacyclo [17.8.8.1^3,7^.1^8,12^.1^13,17^]octatriaconta-3,5,7(36),8,10,12(37),13,15, 17(38)-nonaene potassium thiocyanate monohydrate
• Formula: C39 H54 K N3 O8 S
• Calculated formula: C39 H54 K N3 O8 S
• Title of publication: Three Complexes of a [2.2]Cryptahemispherand
• Authors of publication: Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1822 - 1827
• a: 13.921 ± 0.012 Å
• b: 11.397 ± 0.011 Å
• c: 25.53 ± 0.02 Å
• α: 90°
• β: 101.74 ± 0.02°
• γ: 90°
• Cell volume: 3966 ± 6 ų
• Cell temperature: 156 K
• Ambient diffraction temperature: 156 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2244
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections: 0.2179
• Weighted residual factors for significantly intense reflections: 0.13
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No