Information card for entry 7204656

Structure parameters

• Formula: C30 H44 N2 O4
• Calculated formula: C30 H44 N2 O4
• SMILES: C(/c1c(cc(cc1)OCCCCCCCC)O)=N\N=C\c1c(cc(cc1)OCCCCCCCC)O
• Title of publication: Liquid-crystalline azines formed by the rare-earth promoted decomposition of hydrazide ?habbe? ligands: structural and thermal properties
• Authors of publication: Van Deun, Rik; Parac-Vogt, Tatjana N.; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen; Guillon, Daniel; Donnio, Bertrand
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2003
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 1639
• a: 5.6139 ± 0.0005 Å
• b: 11.0646 ± 0.0012 Å
• c: 11.2402 ± 0.0011 Å
• α: 92.489 ± 0.008°
• β: 91.835 ± 0.006°
• γ: 101.208 ± 0.007°
• Cell volume: 683.65 ± 0.12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No