Information card for entry 1531040

Structure parameters

• Formula: C16 H16 F N2 O5 V
• Calculated formula: C16 H16 F N2 O5 V
• SMILES: [V]12([N](=Cc3c(cccc3)O2)N=C(c2ccc(cc2)F)O1)(=O)([OH]C)OC
• Title of publication: Selective photocatalytic C‒C bond cleavage under ambient conditions with earth abundant vanadium complexes
• Authors of publication: Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 7130
• a: 7.9908 ± 0.0003 Å
• b: 17.1771 ± 0.0006 Å
• c: 11.9692 ± 0.0005 Å
• α: 90°
• β: 100.208 ± 0.0018°
• γ: 90°
• Cell volume: 1616.87 ± 0.11 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No