Information card for entry 7238350

Structure parameters

• Formula: C2 H2 Cl3 N O
• Calculated formula: C2 H2 Cl3 N O
• Title of publication: Polarization reversal by intramolecular disordering in organic ferroelectrics: trichloroacetamide
• Authors of publication: Saito, Kazuya; Yamamura, Yasuhisa; Kikuchi, Naoya; Nakao, Akiko; Yasuzuka, Syuma; Akishige, Yukikuni; Murakami, Youichi
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2693
• a: 10.4368 ± 0.0008 Å
• b: 5.8004 ± 0.0004 Å
• c: 10.1922 ± 0.0007 Å
• α: 90°
• β: 107.561 ± 0.001°
• γ: 90°
• Cell volume: 588.26 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.68933 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No