Information card for entry 1549719

Structure parameters

• Formula: C24 H19 N O9
• Calculated formula: C24 H21 N O9
• SMILES: O=C(O)c1ccc(N2C(=C(C(=O)OCC)[C@]3(O)[C@@]2(O)c2c(C3=O)cccc2)C(=O)OCC)cc1.O=C(O)c1ccc(N2C(=C(C(=O)OCC)[C@@]3(O)[C@]2(O)c2c(C3=O)cccc2)C(=O)OCC)cc1
• Title of publication: Dihydroindeno[1,2-b]pyrroles: new Al³⁺ selective off-on chemosensors for bio-imaging in living HepG2 cells.
• Authors of publication: Mal, Kajal; Naskar, Barnali; Mondal, Animesh; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Keya; Mukhopadhyay, Chhanda
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 5920 - 5931
• a: 9.662 ± 0.003 Å
• b: 15.701 ± 0.005 Å
• c: 14.746 ± 0.005 Å
• α: 90°
• β: 94.165 ± 0.005°
• γ: 90°
• Cell volume: 2231.1 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No