Information card for entry 7045465

Structure parameters

• Formula: C22 H17 B F2 N4 O
• Calculated formula: C22 H17 B F2 N4 O
• Title of publication: Time dependent aggregation induced emission enhancement and the study of molecular packing in closely related azo-phenol BODIPY species.
• Authors of publication: Paitandi, Rajendra Prasad; Singh, Roop Shikha; Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3785 - 3795
• a: 6.9013 ± 0.0006 Å
• b: 18.4057 ± 0.0017 Å
• c: 15.0143 ± 0.0014 Å
• α: 90°
• β: 91.438 ± 0.003°
• γ: 90°
• Cell volume: 1906.6 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• 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: 0.1074
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No