Information card for entry 7129094

Structure parameters

• Common name: o-I-BDP
• Chemical name: o-I-BDP
• Formula: C15 H10 B F2 I N2
• Calculated formula: C15 H10 B F2 I N2
• SMILES: Ic1c(C2=c3[n](ccc3)[B](F)(F)n3c2ccc3)cccc1
• Title of publication: Si-Bridged annulated BODIPYs: synthesis, unique structure and photophysical properties.
• Authors of publication: Feng, Siyang; Qu, Zhirong; Zhou, Zhikuan; Chen, Jiaying; Gai, Lizhi; Lu, Hua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 88
• Pages of publication: 11689 - 11692
• a: 7.766 ± 0.0008 Å
• b: 15.9828 ± 0.0016 Å
• c: 12.3621 ± 0.0012 Å
• α: 90°
• β: 105.335 ± 0.002°
• γ: 90°
• Cell volume: 1479.8 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No