Information card for entry 2006800

Structure parameters

• Chemical name: hexahydro-{(30,31,32-trimethoxy-5,10,15- trimethyl-22,27-dioxa-1,19-diazapentacyclo[17.5.5.1^3,7^.1^8,12^.1^13,17^] dotriaconta-3,5,7(32),8,10,12(31),13,15,17(30)-nonaene-N^1^:N^19^)} -di-boron (CH~2~Cl~2~ solvate)
• Formula: C34.5 H51 B2 Cl N2 O5
• Calculated formula: C34.51 H49.74 B2 Cl1.02 N2 O5
• Title of publication: An Na^+^ Complex and a Bis-BH~3~ Complex of a [1.1]Cryptahemispherand
• 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: 1827 - 1832
• a: 15.605 ± 0.011 Å
• b: 15.799 ± 0.007 Å
• c: 15.023 ± 0.007 Å
• α: 90 ± 0.04°
• β: 94.43 ± 0.05°
• γ: 90 ± 0.05°
• Cell volume: 3693 ± 4 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.135
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for all reflections: 0.183
• Weighted residual factors for significantly intense reflections: 0.158
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No