Information card for entry 2217381

Structure parameters

• Chemical name: 4'-(2,5,8,11,14-Pentaoxadicyclo[13.4.0]nonadeca-15,17,19-trien-17-yloxy)-\ 2,2':6',2''-terpyridine
• Formula: C29 H29 N3 O6
• Calculated formula: C29 H29 N3 O6
• SMILES: O(c1cc(nc(c1)c1ncccc1)c1ncccc1)c1ccc2OCCOCCOCCOCCOc2c1
• Title of publication: 4'-(2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-15,17,19-trien-17-yloxy)-2,2':6',2''-terpyridine: a powder study
• Authors of publication: Logacheva, Nadezhda M.; Puryaeva, Tamara P.; Tsivadze, Aslan Yu.; Velikodny, Yurii A.; Chernyshev, Vladimir V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o225 - o225
• a: 58.347 ± 0.011 Å
• b: 33.712 ± 0.003 Å
• c: 5.3211 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10467 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Goodness-of-fit parameter for all reflections: 1.3626
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No