Information card for entry 7152285

Structure parameters

• Formula: C33 H38 N6 O11 Zn2
• Calculated formula: C33 H38 N6 O11 Zn2
• SMILES: [Zn]1234[O]=C(O[Zn]56([O]=C(N[N]6=Cc6c(c(cc(c6)C)C=[N]3N=C(O1)c1c(O)cccc1)[O]45)c1ccccc1O)[O]=C(O2)C)C.CN(C=O)C.C(=O)N(C)C
• Title of publication: A highly selective and sensitive in vivo fluorosensor for zinc(ii) without cytotoxicity.
• Authors of publication: Mistri, Tarun; Dolai, Malay; Chakraborty, Debrup; Khuda-Bukhsh, Anisur Rahman; Das, Kalyan Kumar; Ali, Mahammad
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 2380 - 2384
• a: 9.5044 ± 0.0003 Å
• b: 11.9561 ± 0.0004 Å
• c: 17.0346 ± 0.0006 Å
• α: 103.13 ± 0.001°
• β: 91.678 ± 0.001°
• γ: 105.355 ± 0.001°
• Cell volume: 1809.58 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.563
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No