Information card for entry 7021852

Structure parameters

• Formula: C47 H44 N4 O2
• Calculated formula: C47 H44 N4 O2
• SMILES: O=C1N(CC/N=C/c2c3c4c(cc2)ccc2c4c(cc3)ccc2)C2(c3c1cccc3)c1c(Oc3c2ccc(N(CC)CC)c3)cc(N(CC)CC)cc1
• Title of publication: FRET based tri-color emissive rhodamine-pyrene conjugate as an Al(3+) selective colorimetric and fluorescence sensor for living cell imaging.
• Authors of publication: Sahana, Animesh; Banerjee, Arnab; Lohar, Sisir; Banik, Avishek; Mukhopadhyay, Subhra Kanti; Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13311 - 13314
• a: 23.9547 ± 0.0015 Å
• b: 8.745 ± 0.0004 Å
• c: 36.317 ± 0.002 Å
• α: 90°
• β: 103.866 ± 0.004°
• γ: 90°
• Cell volume: 7386.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No