Information card for entry 1556196

Structure parameters

• Formula: C29 H31 B N2 O2
• Calculated formula: C29 H31 B N2 O2
• SMILES: C1(c2ccccc2)=c2c(c(CC)c(C)[n]2[B]2(n3c(C)c(CC)c(C)c13)Oc1ccccc1O2)C
• Title of publication: Fluorescence photoactivation by ligand exchange around the boron center of a BODIPY chromophore.
• Authors of publication: Shaban Ragab, Sherif; Swaminathan, Subramani; Deniz, Erhan; Captain, Burjor; Raymo, Françisco M
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 3154 - 3157
• a: 11.3125 ± 0.0006 Å
• b: 9.5581 ± 0.0005 Å
• c: 12.1929 ± 0.0006 Å
• α: 90°
• β: 111.496 ± 0.0007°
• γ: 90°
• Cell volume: 1226.66 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No