Information card for entry 7030877

Structure parameters

• Formula: C26 H22 N4
• Calculated formula: C26 H22 N4
• SMILES: N(Cc1nccc2ccccc12)(Cc1nccc2ccccc12)Cc1ncccc1
• Title of publication: Isoquinoline-derivatized tris(2-pyridylmethyl)amines as fluorescent zinc sensors with strict Zn(2+)/Cd(2+) selectivity.
• Authors of publication: Mikata, Yuji; Kawata, Keiko; Takeuchi, Saaya; Nakanishi, Kaori; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi; Burdette, Shawn C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 10751 - 10759
• a: 17.041 ± 0.005 Å
• b: 9.384 ± 0.003 Å
• c: 14.979 ± 0.005 Å
• α: 90°
• β: 120.935 ± 0.003°
• γ: 90°
• Cell volume: 2054.6 ± 1.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No