Information card for entry 7063096

Structure parameters

• Chemical name: TR1
• Formula: C48 H33 N6 O4
• Calculated formula: C48 H33 N6 O4
• 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: 11.2 ± 0.005 Å
• b: 13.46 ± 0.006 Å
• c: 13.666 ± 0.007 Å
• α: 61.638 ± 0.016°
• β: 87.414 ± 0.018°
• γ: 86.773 ± 0.016°
• Cell volume: 1809.6 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.226
• Residual factor for significantly intense reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.2939
• Weighted residual factors for all reflections included in the refinement: 0.4012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No