Information card for entry 2213520

Structure parameters

• Chemical name: 1-Benzamido-2-(2-furyl)-3-phenylcyclopropanecarboxylic acid
• Formula: C21 H17 N O4
• Calculated formula: C21 H17 N O4
• SMILES: o1c([C@H]2[C@@](NC(=O)c3ccccc3)([C@@H]2c2ccccc2)C(=O)O)ccc1.o1c([C@@H]2[C@](NC(=O)c3ccccc3)([C@H]2c2ccccc2)C(=O)O)ccc1
• Title of publication: 1-Benzamido-2-(2-furyl)-3-phenylcyclopropanecarboxylic acid
• Authors of publication: Wan-Yun Huang; Gui-Fa Su; Cheng-Xue Pan; Jiang-Ke Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2686 - o2687
• a: 9.134 ± 0.002 Å
• b: 10.641 ± 0.003 Å
• c: 17.696 ± 0.005 Å
• α: 90°
• β: 98.04 ± 0.02°
• γ: 90°
• Cell volume: 1703.1 ± 0.8 ų
• Cell temperature: 284 ± 2 K
• Ambient diffraction temperature: 284 ± 2 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 all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes