Information card for entry 7062939

Structure parameters

• Formula: C23 H20 Br N O2
• Calculated formula: C23 H20 Br N O2
• SMILES: Brc1cc2c3c(C(=O)Oc2cc1)c(NCCCC)cc(c3)c1ccccc1
• Title of publication: Modular three-component synthesis of 6H-benzochromenone based blue luminogens under catalyst- and solvent-free conditions
• Authors of publication: Pavithra, Thangavel; Gnanaoli, Karthiyayini; Rajkumar, Deepan Babu; Puhazhendhi, Arulmozhi; Sivalingam, Soumya; Sampath, Natarajan; Nagarajan, Subbiah; Sridharan, Vellaisamy; Maheswari, C. Uma
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 2175 - 2182
• a: 9.2857 ± 0.0006 Å
• b: 9.3554 ± 0.0006 Å
• c: 12.1715 ± 0.0008 Å
• α: 74.363 ± 0.002°
• β: 76.108 ± 0.002°
• γ: 89.435 ± 0.002°
• Cell volume: 986.74 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No