Information card for entry 7063095

Structure parameters

• Chemical name: DSIA
• Formula: C23 H15 N3 O
• Calculated formula: C23 H15 N3 O
• SMILES: O=c1[nH]c2c(cc1c1nc(c3c(n1)cccc3)c1ccccc1)cccc2
• Title of publication: Intermolecular hydrogen bonding-assisted aggregation induced emission in quinolone–quinazoline conjugates and their potential use in acidochromism
• Authors of publication: Ali, Irshad; Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 6943 - 6953
• a: 8.44882 ± 0.00013 Å
• b: 8.76255 ± 0.00016 Å
• c: 13.5212 ± 0.0003 Å
• α: 92.2891 ± 0.0015°
• β: 107.07 ± 0.0015°
• γ: 113.235 ± 0.0016°
• Cell volume: 865.37 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0444
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No