Information card for entry 7118956

Structure parameters

• Formula: C19 H19 Cl2 N3 O V
• Calculated formula: C19 H19 Cl2 N3 O V
• SMILES: [V]12(Cl)(Cl)([N](Cc3[n]1cccc3)(Cc1[n]2cccc1)Cc1ccccc1)=O
• Title of publication: Cellular imaging and mitochondria targeted photo-cytotoxicity in visible light by singlet oxygen using a BODIPY-appended oxovanadium(iv) DNA crosslinking agent
• Authors of publication: Kumar, Arun; Dixit, Akanksha; Banerjee, Samya; Bhattacharyya, Arnab; Garai, Aditya; Karande, Anjali A.; Chakravarty, Akhil R.
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1398
• a: 10.7433 ± 0.0007 Å
• b: 12.853 ± 0.0007 Å
• c: 14.532 ± 0.0005 Å
• α: 97.587 ± 0.004°
• β: 90.559 ± 0.004°
• γ: 100.953 ± 0.005°
• Cell volume: 1951.58 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No