Information card for entry 7107738

Structure parameters

• Formula: C24 H14 B2 Cl2 F4 N4
• Calculated formula: C24 H14 B2 Cl2 F4 N4
• SMILES: [B]1(F)([n]2cccc2=C(c2n1cc(c2)C1=c2[n]([B](F)(F)n3c1ccc3)ccc2)c1c(Cl)cccc1Cl)F
• Title of publication: Modulating the singlet oxygen generation property of meso-beta directly linked BODIPY dimers
• Authors of publication: Weidong Pang; Xian-Fu Zhang; Jinyuan Zhou; Changjiang Yu; Erhong Hao; Lijuan Jiao
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5437
• a: 10.6288 ± 0.0009 Å
• b: 11.095 ± 0.0009 Å
• c: 19.9094 ± 0.0017 Å
• α: 90°
• β: 103.688 ± 0.001°
• γ: 90°
• Cell volume: 2281.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0742
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No