Information card for entry 1506943

Structure parameters

• Formula: C18 H22 N O6 V
• Calculated formula: C18 H22 N O6 V
• SMILES: [V]12(Oc3cc4ccccc4cc3C=[N]2[C@@H](C(C)C)C(=O)O1)(=O)([OH]C)OC
• 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: 34.174 ± 0.0017 Å
• b: 6.545 ± 0.0003 Å
• c: 8.939 ± 0.0006 Å
• α: 90°
• β: 103.211 ± 0.002°
• γ: 90°
• Cell volume: 1946.46 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No