Information card for entry 7225555

Structure parameters

• Formula: C33 H27 B F2 N2
• Calculated formula: C33 H27 B F2 N2
• SMILES: F[B]1([n]2c(cc(c2=C(c2n1c(cc2C)/C=C/c1ccccc1)c1ccccc1)C)/C=C/c1ccccc1)F
• Title of publication: Photoinduced charge separation in wide-band capturing, multi-modular bis(donor styryl)BODIPY-fullerene systems.
• Authors of publication: Obondi, Christopher O.; Lim, Gary N.; Karr, Paul A.; Nesterov, Vladimir N.; D'Souza, Francis
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 27
• Pages of publication: 18187 - 18200
• a: 8.279 ± 0.0004 Å
• b: 8.3562 ± 0.0004 Å
• c: 19.2301 ± 0.0009 Å
• α: 100.217 ± 0.002°
• β: 98.258 ± 0.002°
• γ: 96.502 ± 0.002°
• Cell volume: 1282.48 ± 0.11 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.0979
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2254
• 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