Information card for entry 8101158

Structure parameters

• Common name: 2,2'-Bipyridine-bridged macrocyclic polyether
• Formula: C40 H48 N2 O8 S2
• Calculated formula: C40 H48 N2 O8 S2
• Title of publication: Crystal structure of 3,6,9,12,20,23,26,29-octaoxa-36,49-dithia-51, 52-diaza-hexacyclo[16.16.16.1^38,42^.1^43,47^.0^14,50^.0^31,35^]dopentaconta- 1(35),14,16,18(50),31,33,38,40,42(52),43,45,47(51)-dodecaene, C~40~H~48~N~2~O~8~S~2~, a 2,2'-bipyridine-bridged macrocyclic polyether
• Authors of publication: Nabeshima, T.; Horn, E.; Aoki, Taizo; Yano, Yumihiko
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 19 - 20
• a: 8.283 ± 0.001 Å
• b: 11.31 ± 0.002 Å
• c: 20.669 ± 0.007 Å
• α: 90°
• β: 99.11 ± 0.01°
• γ: 90°
• Cell volume: 1911.7 ± 0.6 ų
• Cell temperature: 569.2 K
• Ambient diffraction temperature: 569.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0452
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No