Information card for entry 1571188

Structure parameters

• Formula: C33 H32 N2 O2
• Calculated formula: C33 H32 N2 O2
• SMILES: n1(c2c(cc(cc2)c2cc(c(O)cc2)C=O)c2c1cc1c(n(c3c1cccc3)CCCC)c2)CCCC
• Title of publication: Bromine atom introduction improves the F^- sensing ability of an indolo[3,2-<i>b</i>]carbazole-salicylaldehyde-based fluorescence turn-on sensor.
• Authors of publication: Xu, Lihua; Zhao, Jiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 28
• Pages of publication: 3830 - 3833
• a: 14.474 ± 0.0012 Å
• b: 12.9605 ± 0.001 Å
• c: 14.8707 ± 0.0012 Å
• α: 90°
• β: 110.226 ± 0.002°
• γ: 90°
• Cell volume: 2617.6 ± 0.4 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.1003
• Weighted residual factors for significantly intense reflections: 0.2412
• Weighted residual factors for all reflections included in the refinement: 0.2791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No