Information card for entry 7206471

Structure parameters

• Formula: C27 H34 Br N O
• Calculated formula: C27 H34 Br N O
• SMILES: Brc1ccc(c(c1)/C=N/C[C@@]1(CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C)C)O
• Title of publication: Discovery of a new type of organic ferroelectric materials in natural biomass dehydroabietylamine Schiff bases
• Authors of publication: Sui, Yan; Liu, Dong-Sheng; Hu, Rong-Hua; Chen, Hong-Mei
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 38
• Pages of publication: 14599
• a: 11.264 ± 0.004 Å
• b: 6.189 ± 0.002 Å
• c: 17.301 ± 0.006 Å
• α: 90°
• β: 102.785 ± 0.007°
• γ: 90°
• Cell volume: 1176.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No