Information card for entry 2004178

Structure parameters

• Formula: C16 H12 Cl N O3
• Calculated formula: C16 H12 Cl N O3
• Title of publication: 2-Benzamido-3-(<i>p</i>-chlorophenyl)propenoic Acid (Antrex)
• Authors of publication: Palmer, R. A.; Richards, A. J.; Lisgarten, J. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2338 - 2340
• a: 21.184 ± 0.005 Å
• b: 21.184 ± 0.005 Å
• c: 15.412 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6916 ± 3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections: 0.3261
• Weighted residual factors for significantly intense reflections: 0.1838
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No