Information card for entry 7015457

Structure parameters

• Formula: C46 H44 N6 O4
• Calculated formula: C46 H44 N6 O4
• SMILES: C(c1nccc2cc(ccc12)OC)N(Cc1nccc2cc(OC)ccc12)CCN(Cc1nccc2cc(ccc12)OC)Cc1nccc2cc(OC)ccc12
• Title of publication: Methoxy-substituted isoTQEN family for enhanced fluorescence response toward zinc ion.
• Authors of publication: Mikata, Yuji; Yamashita, Azusa; Kawata, Keiko; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4059 - 4066
• a: 12.119 ± 0.0006 Å
• b: 17.016 ± 0.0009 Å
• c: 18.434 ± 0.0009 Å
• α: 90°
• β: 95.437 ± 0.002°
• γ: 90°
• Cell volume: 3784.3 ± 0.3 ų
• Cell temperature: 173.1 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 significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No