Information card for entry 7023814

Structure parameters

• Formula: C27 H37 Br3 Eu N6 O8 P3
• Calculated formula: C27 H37 Br3 Eu N6 O8 P3
• SMILES: [Eu]12345678OP(=O)(c9[n]6c(C[N]63CC[N]4(CC[N]5(CC6)Cc3[n]8c(P(=O)(O2)C)cc(Br)c3)Cc2[n]7c(P(=O)(O1)C)cc(Br)c2)cc(Br)c9)C.O.O
• Title of publication: Complete stereocontrol in the synthesis of macrocyclic lanthanide complexes: direct formation of enantiopure systems for circularly polarised luminescence applications.
• Authors of publication: Evans, Nicholas H.; Carr, Rachel; Delbianco, Martina; Pal, Robert; Yufit, Dmitry S.; Parker, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 44
• Pages of publication: 15610 - 15616
• a: 9.8356 ± 0.0004 Å
• b: 12.3427 ± 0.0005 Å
• c: 17.2609 ± 0.0008 Å
• α: 107.259 ± 0.004°
• β: 97.936 ± 0.004°
• γ: 105.863 ± 0.004°
• Cell volume: 1869.29 ± 0.16 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No