Information card for entry 1506945

Structure parameters

• Formula: C19 H24 N O6 V
• Calculated formula: C19 H24 N O6 V
• SMILES: [V]12(Oc3c(C=[N]2[C@H](C(=O)O1)C(C)(C)C)c1ccccc1cc3)(=O)(OC)[OH]C
• Title of publication: Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.
• Authors of publication: Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 24
• Pages of publication: 4471 - 4474
• a: 9.521 ± 0.002 Å
• b: 32.527 ± 0.007 Å
• c: 6.7189 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2080.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.0824
• Goodness-of-fit parameter for all reflections: 1.002
• Goodness-of-fit parameter for significantly intense reflections: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No