Information card for entry 7030879

Structure parameters

• Formula: C28 H26 N4 O2
• Calculated formula: C28 H26 N4 O2
• SMILES: O(c1ccc2ccnc(CN(Cc3nccc4ccc(OC)cc34)Cc3ncccc3)c2c1)C
• 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: 9.5027 ± 0.0018 Å
• b: 14.03 ± 0.003 Å
• c: 19.032 ± 0.004 Å
• α: 79.58 ± 0.007°
• β: 78.974 ± 0.007°
• γ: 70.828 ± 0.007°
• Cell volume: 2333.3 ± 0.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No