Information card for entry 7038742

Structure parameters

• Formula: C43 H38 N6 O
• Calculated formula: C43 H38 N6 O
• SMILES: OC(CN(Cc1nccc2ccccc12)Cc1nccc2ccccc12)CN(Cc1nccc2ccccc12)Cc1nccc2ccccc12
• Title of publication: OFF-ON-OFF fluorescent response of N,N,N',N'-tetrakis(1-isoquinolylmethyl)-2-hydroxy-1,3-propanediamine (1-isoHTQHPN) toward Zn(2.).
• Authors of publication: Mikata, Yuji; Ohnishi, Risa; Ugai, Anna; Konno, Hideo; Nakata, Yasushi; Hamagami, Ikuko; Sato, Shin-Ichiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7250 - 7257
• a: 8.1153 ± 0.0016 Å
• b: 13.915 ± 0.003 Å
• c: 15.561 ± 0.003 Å
• α: 83.682 ± 0.004°
• β: 81.785 ± 0.004°
• γ: 89.608 ± 0.005°
• Cell volume: 1728.6 ± 0.6 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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 all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No