Information card for entry 7041929

Structure parameters

• Formula: C38 H37 N3 O4
• Calculated formula: C38 H37 N3 O4
• SMILES: C12(c3ccc(cc3Oc3cc(ccc13)N(CC)CC)N(CC)CC)c1ccccc1C(=O)N2c1ccc2c(c1)oc(=O)cc2C
• Title of publication: Intracellular detection of hazardous Cd(2+) through a fluorescence imaging technique by using a nontoxic coumarin based sensor.
• Authors of publication: Kumari, Chanda; Sain, Dibyendu; Kumar, Ashish; Debnath, Sushanta; Saha, Partha; Dey, Swapan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2524 - 2531
• a: 9.6575 ± 0.0003 Å
• b: 12.1006 ± 0.0004 Å
• c: 15.5767 ± 0.0005 Å
• α: 108.837 ± 0.002°
• β: 92.772 ± 0.002°
• γ: 94.376 ± 0.002°
• Cell volume: 1712.65 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.104
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No