Information card for entry 7038977

Structure parameters

• Formula: C33 H32 N5 O4 S
• Calculated formula: C33 H32 N5 O4 S
• SMILES: s1c(N(=O)=O)ccc1/C=N/N1C2(c3ccc(cc3Oc3c2ccc(N(CC)CC)c3)N(CC)CC)c2c(C1=O)cccc2
• Title of publication: A smart switchable module for the detection of multiple ions via turn-on dual-optical readout and their cell imaging studies.
• Authors of publication: Rai, Abhishek; Singh, Alok Kumar; Sonkar, Avinash Kumar; Prakash, Anand; Roy, Jagat Kumar; Nagarajan, Rajamani; Mishra, Lallan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 8272 - 8277
• a: 15.4023 ± 0.0014 Å
• b: 11.8559 ± 0.0007 Å
• c: 18.238 ± 0.002 Å
• α: 90°
• β: 114.583 ± 0.014°
• γ: 90°
• Cell volume: 3028.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1723
• 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