Information card for entry 2006796

Structure parameters

• Chemical name: (33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo [17.5.5.1^3,7^,1^8,12^.1^13,17^] pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(33)-nonaene potassium thiocyanate
• Formula: C37 H48 K N3 O6 S
• Calculated formula: C37 H48 K N3 O6 S
• Title of publication: A K^+^ Complex of a [2.1]Cryptahemispherand at 295K
• Authors of publication: Knobler, Carolyn B.; Maverick, Emily F.; 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: 1832 - 1834
• a: 21.21 ± 0.009 Å
• b: 14.745 ± 0.006 Å
• c: 11.807 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3693 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.1167
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections: 0.2207
• Weighted residual factors for significantly intense reflections: 0.2016
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.228
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No