Information card for entry 2006140

Structure parameters

• Chemical name: p-chloro-(E)-o-stilbenecarboxylic acid
• Formula: C15 H11 Cl O2
• Calculated formula: C15 H11 Cl O2
• SMILES: O=C(O)c1ccccc1/C=C/c1ccc(cc1)Cl
• Title of publication: (<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives
• Authors of publication: Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 620 - 624
• a: 12.977 ± 0.005 Å
• b: 8.023 ± 0.004 Å
• c: 25.171 ± 0.003 Å
• α: 90°
• β: 103.56 ± 0.02°
• γ: 90°
• Cell volume: 2547.6 ± 1.6 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• 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: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0452
• Goodness-of-fit parameter for significantly intense reflections: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No