Information card for entry 1531042

Structure parameters

• Formula: C15 H22 N O4 V
• Calculated formula: C15 H22 N O4 V
• SMILES: [V]12([N](=Cc3c(c(C(C)(C)C)ccc3)O1)CCCO2)(=O)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: 14.7897 ± 0.0004 Å
• b: 13.1867 ± 0.0003 Å
• c: 7.8841 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1537.62 ± 0.07 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No