Information card for entry 7223341

Structure parameters

• Formula: C22 H18 N2 O4
• Calculated formula: C22 H18 N2 O4
• SMILES: C12(c3ccc(cc3Oc3cc(ccc13)O)O)c1ccccc1C(=O)N2CCN
• Title of publication: A smart rhodamine-pyridine conjugate for bioimaging of thiocyanate in living cells cells
• Authors of publication: Mandal, Sandip; Sahana, Animesh; Banerjee, Arnab; Safin, Damir; Babashkina, Maria G.; Robeyns, Koen; Verkaart, Sjoerd; Hoenderop, Joost; Mitoraj, Mariusz Paweł; Garcia, Yann; Das, Debasis
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.6159 ± 0.0005 Å
• b: 9.9444 ± 0.0003 Å
• c: 28.7738 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4182.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No