Information card for entry 8106795

Structure parameters

• Formula: C13 H9 N O5
• Calculated formula: C13 H9 N O5
• Title of publication: Crystal structure of 5-(4-carboxyphenoxy)-nicotinic acid, C13H9NO5
• Authors of publication: Du, Xi-Gang; Wang, Chun-Wei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 93 - 95
• a: 7.6228 ± 0.0012 Å
• b: 10.5401 ± 0.0016 Å
• c: 14.669 ± 0.002 Å
• α: 94.801 ± 0.002°
• β: 91.188 ± 0.002°
• γ: 105.664 ± 0.002°
• Cell volume: 1129.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No