Information card for entry 7241679

Structure parameters

• Formula: C11 H10 Cl N O4
• Calculated formula: C11 H10 Cl N O4
• SMILES: Cl(=O)(=O)(=O)[O-].[nH+]1ccc(c2ccccc2)cc1
• Title of publication: Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect
• Authors of publication: Leduskrasts, Kaspars; Suna, Edgars
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 62
• Pages of publication: 38107 - 38113
• a: 6.8571 ± 0.0001 Å
• b: 18.2247 ± 0.0002 Å
• c: 9.2749 ± 0.0001 Å
• α: 90°
• β: 109.383 ± 0.002°
• γ: 90°
• Cell volume: 1093.38 ± 0.03 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0242
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No