Information card for entry 4333434

Structure parameters

• Formula: C24 H25 N3 O6 S V
• Calculated formula: C24 H21 N3 O6 S V
• SMILES: [V]123([n]4cccc5ccc6ccc[n]1c6c45)([N](=Cc1c(cccc1)O3)[C@H](C(=O)O2)CCSC)=O.O.O
• Title of publication: DNA Cleavage by New Oxovanadium(IV) Complexes ofN-Salicylidene α-Amino Acids and Phenanthroline Bases in the Photodynamic Therapy Window
• Authors of publication: Sasmal, Pijus K.; Patra, Ashis K.; Nethaji, Munirathinam; Chakravarty, Akhil R.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11112 - 11121
• a: 10 ± 0.003 Å
• b: 15.541 ± 0.004 Å
• c: 15.83 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2460.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1503
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No