Information card for entry 2205777

Structure parameters

• Chemical name: 2,3,5-Trichloro-4-methoxy-6-[2,3,5-trichloro-4-methoxy-6- (2,3,5,6-tetrachloro-4-methoxyphenoxy)phenoxy]phenol
• Formula: C21 H10 Cl10 O6
• Calculated formula: C21 H10 Cl10 O6
• SMILES: Clc1c(O)c(c(Cl)c(OC)c1Cl)Oc1c(Cl)c(Cl)c(OC)c(Cl)c1Oc1c(Cl)c(Cl)c(OC)c(Cl)c1Cl
• Title of publication: 2,3,5-Trichloro-4-methoxy-6-[2,3,5-trichloro-4-methoxy-6-(2,3,5,6-tetrachloro-4-methoxyphenoxy)phenoxy]phenol
• Authors of publication: Hashizume, Daisuke; Koshino, Hiroyuki; Lee, In-Kyoung; Yoo, Ick-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1367 - o1369
• a: 7.5031 ± 0.0013 Å
• b: 19.61 ± 0.003 Å
• c: 18.401 ± 0.004 Å
• α: 90°
• β: 99.894 ± 0.007°
• γ: 90°
• Cell volume: 2667.2 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes