Information card for entry 7038770

Structure parameters

• Formula: C100 H105 Cl3 N8 O4
• Calculated formula: C100 H105 Cl3 N8 O4
• SMILES: C(CNC(=O)Nc1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)N(CCNC(=O)Nc1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)CCNC(=O)Nc1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1.C(C)[N+](CC)(CC)CC.CCOCC.C(Cl)Cl.[Cl-]
• Title of publication: Phosphate-induced fluorescence of a tetraphenylethene-substituted tripodal tris(urea) receptor.
• Authors of publication: Zhao, Jie; Yang, Dong; Zhao, Yanxia; Cao, Liping; Zhang, Zhibin; Yang, Xiao-Juan; Wu, Biao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7360 - 7365
• a: 23.826 ± 0.005 Å
• b: 14.975 ± 0.003 Å
• c: 26.604 ± 0.005 Å
• α: 90°
• β: 111.883 ± 0.002°
• γ: 90°
• Cell volume: 8808 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.2269
• Weighted residual factors for all reflections included in the refinement: 0.2614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No