Information card for entry 7104706

Structure parameters

• Formula: C15 H11 N O3
• Calculated formula: C15 H11 N O3
• SMILES: N1(C(=O)c2c(C1)cccc2)c1c(cccc1)C(=O)O
• Title of publication: Luminescent N-arylphthalimidino derivatives 2- and 4-(1-oxo-1H-2,3-dihydroisoindol-2-yl)benzoic acid: examples of a new class of reaction induced crystallization for an organic compound.
• Authors of publication: Chen, Yun; Li, Hui; Cai, Shuanglian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 36
• Pages of publication: 5392 - 5393
• a: 5.8831 ± 0.0013 Å
• b: 11.837 ± 0.003 Å
• c: 17.492 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1218.1 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No