Information card for entry 2006798

Structure parameters

• Chemical name: 33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo [17.8.5.1^3,7^,1^8,12^.1^13,17^] pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(33)-nonaene-2,18-dione)
• Formula: C36 H44 N2 O8
• Calculated formula: C36 H44 N2 O8
• Title of publication: Two Isomeric [2.1]Cryptahemispherand Diamides
• 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: 1835 - 1838
• a: 16.055 ± 0.004 Å
• b: 15.37 ± 0.004 Å
• c: 14.64 ± 0.003 Å
• α: 90 ± 0.02°
• β: 90 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 3612.6 ± 1.5 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: 0.0687
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections: 0.1724
• Weighted residual factors for significantly intense reflections: 0.1616
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No