Information card for entry 4116337

Structure parameters

• Formula: C10 H9 N O3
• Calculated formula: C10 H9 N O3
• Title of publication: Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks
• Authors of publication: Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 1936 - 1944
• a: 9.944 ± 0.001 Å
• b: 7.127 ± 0.001 Å
• c: 12.723 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 901.7 ± 0.2 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 2.75
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No