Information card for entry 8105585

Structure parameters

• Formula: C28 H22 N4 O4
• Calculated formula: C28 H22 N4 O4
• SMILES: c1c(C(=O)O)ccc2c1cc[nH]2.c1(C(=O)O)cc2c(cc1)[nH]cc2.c1(c2ccncc2)ccncc1
• Title of publication: Crystal structure of 1H-indole-5-carboxylic acid – 4,4′-bipyridine (2/1), C14H11N2O2
• Authors of publication: Linxin, Deng; Xinya, Kuang; Huarong, Yang; Song, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 191 - 192
• a: 7.8749 ± 0.0006 Å
• b: 9.6746 ± 0.0006 Å
• c: 16.0818 ± 0.0012 Å
• α: 78.2 ± 0.006°
• β: 83.007 ± 0.006°
• γ: 85.035 ± 0.006°
• Cell volume: 1188 ± 0.15 ų
• Cell temperature: 295.42 ± 0.1 K
• Ambient diffraction temperature: 295.42 ± 0.1 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: 0.1267
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No