Information card for entry 7204554

Structure parameters

• Formula: C36 H44 N4 O10
• Calculated formula: C36 H44 N4 O10
• SMILES: c12ncc(cn1)c1ccc(cc1)OCCOCCOCCOCCOc1ncc(cn1)c1ccc(cc1)OCCOCCOCCOCCO2
• Title of publication: Liquid crystalline macrocycles containing phenylpyrimidine unitsElectronic supplementary information (ESI) available: the procedures and analytical data for all compounds and a table with selected bond distances and bond angles of the crystal structure of compound C are available as supplementary data. See http://www.rsc.org/suppdata/jm/b2/b210271d/
• Authors of publication: Neumann, Bernhard; Hegmann, Torsten; Wagner, Christoph; Ashton, Peter R.; Wolf, Raik; Tschierske, Carsten
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2003
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 778
• a: 8.9755 ± 0.0015 Å
• b: 16.22 ± 0.003 Å
• c: 23.691 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3449 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.1691
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No