Information card for entry 7036292

Structure parameters

• Formula: C23 H23 N4 O3.5
• Calculated formula: C20 H16 N3 O2.5
• SMILES: O.c12ccccc1c1nc3c(cccc3)n1C(N2)c1c(O)c(O)ccc1
• Title of publication: Intracellular detection of Cu(2+) and S(2-) ions through a quinazoline functionalized benzimidazole-based new fluorogenic differential chemosensor.
• Authors of publication: Paul, Anup; Anbu, Sellamuthu; Sharma, Gunjan; Kuznetsov, Maxim L.; Guedes da Silva, M Fátima C; Koch, Biplob; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16953 - 16964
• a: 19.236 ± 0.003 Å
• b: 17.58 ± 0.003 Å
• c: 14.37 ± 0.003 Å
• α: 90°
• β: 126.193 ± 0.004°
• γ: 90°
• Cell volume: 3921.8 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.2453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No