Information card for entry 2006799

Structure parameters

• Chemical name: 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^]do triaconta-3,5,7(32),8,10,12(31),13,15,17(30)-nonaene sodium tetraphenylborate C34 H44 N2 Na1 O5 1+,C24 H20 B1 1-
• Formula: C58 H64 B N2 Na O5
• Calculated formula: C58.8 H64 B Cl0.6 N2 Na O5.5
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c12cc(C)cc3c1[O](C)[Na]14567[N]8(C2)CC[O]6CC[N]1(CC[O]7CC8)Cc1c(c(c2cc(cc3c2[O]4C)C)cc(c1)C)[O]5C
• 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: 19.919 ± 0.002 Å
• b: 14.725 ± 0.002 Å
• c: 21.387 ± 0.002 Å
• α: 90°
• β: 111.85 ± 0.003°
• γ: 90°
• Cell volume: 5822.3 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.272
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for all reflections: 0.388
• Weighted residual factors for significantly intense reflections: 0.324
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for significantly intense reflections: 1.446
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No