Information card for entry 7234619

Structure parameters

• Common name: Amino-BODIPY
• Chemical name: Ammonia-BODIPY
• Formula: C15 H6 B Br F7 N3
• Calculated formula: C15 H6 B Br F7 N3
• SMILES: Brc1n2c(C(=c3[n](c(N)cc3)[B]2(F)F)c2c(F)c(F)c(F)c(F)c2F)cc1
• Title of publication: A facile and visual approach for the detection of trace level ammonia vapours under ambient conditions
• Authors of publication: Masood Ayoub Kaloo; Adiki Raja Sekhar; R. V. Ramana Reddy; Ramya Sunder Raman; Jeyaraman Sankar
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 2452 - 2456
• a: 6.2039 ± 0.0004 Å
• b: 12.3689 ± 0.001 Å
• c: 42.218 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3239.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No