Information card for entry 7235975

Structure parameters

• Formula: C17 H23 B F2 N2
• Calculated formula: C17 H23 B F2 N2
• Title of publication: Unusual spectroscopic and photophysical properties of meso-tert-butylBODIPY in comparison to related alkylated BODIPY dyes
• Authors of publication: Jiao, Lijuan; Yu, Changjiang; Wang, Jun; Briggs, Edward A.; Besley, Nicholas A.; Robinson, David; Ruedas-Rama, María J.; Orte, Angel; Crovetto, Luis; Talavera, Eva M.; Alvarez-Pez, Jose M.; Van der Auweraer, Mark; Boens, Noël
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 109
• Pages of publication: 89375
• a: 10.926 ± 0.0009 Å
• b: 12.1904 ± 0.001 Å
• c: 13.1824 ± 0.0011 Å
• α: 103.996 ± 0.001°
• β: 99.116 ± 0.001°
• γ: 90.038 ± 0.001°
• Cell volume: 1680.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0719
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No