Information card for entry 7225803

Structure parameters

• Formula: C36 H35 N5 O3
• Calculated formula: C36 H35 N5 O3
• SMILES: O1c2c(ccc(N(CC)CC)c2)C2(N(c3nc4[nH]c(=O)ccc4cc3)C(=O)c3c2cccc3)c2ccc(N(CC)CC)cc12
• Title of publication: A real time colorimetric ‘two in one’ kit for tracking ppb levels of uric acid and Hg2+ in live HeLa S3 cells and Hg2+ induced keto‒enol tautomerism
• Authors of publication: Kumari, Chanda; Sain, Dibyendu; Kumar, Ashish; Debnath, Sushanta; Saha, Partha; Dey, Swapan
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 67
• Pages of publication: 62990
• a: 16.9751 ± 0.0005 Å
• b: 20.3272 ± 0.0006 Å
• c: 20.5345 ± 0.0006 Å
• α: 90.308 ± 0.002°
• β: 105.442 ± 0.003°
• γ: 107.538 ± 0.003°
• Cell volume: 6484 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.2605
• Weighted residual factors for all reflections included in the refinement: 0.2843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No