Information card for entry 4111603

Structure parameters

• Formula: C18 H10 Cl2 N2 O3
• Calculated formula: C18 H10 Cl2 N2 O4
• SMILES: C1(=C(C(=O)C(=C(C1=O)O)Cl)O)Cl.c12ccccc2nc2c(n1)cccc2
• Title of publication: Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic Acid
• Authors of publication: Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 5010 - 5011
• a: 12.399 ± 0.002 Å
• b: 3.8533 ± 0.0007 Å
• c: 16.957 ± 0.002 Å
• α: 90°
• β: 107.89 ± 0.006°
• γ: 90°
• Cell volume: 771 ± 0.2 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 4.039
• Diffraction radiation wavelength: 0.6868 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No