Information card for entry 7012327

Structure parameters

• Formula: C9 H12 Br2 O2 Te
• Calculated formula: C9 H12 Br2 O2 Te
• SMILES: [Te](Br)(Br)(c1c(OC)cccc1OC)C
• Title of publication: Dependence of the rotational barrier of the Ar-group in RArTeX2 on the R-group [Ar = 2,6-(MeO)2C6H3; R = Me, Et, i-Pr; X = Cl, Br, I]
• Authors of publication: Asahara, Masahiro; Taomoto, Shoichiro; Tanaka, Masahito; Erabi, Tatsuo; Wada, Masanori
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 973
• a: 8.552 ± 0.0001 Å
• b: 13.6294 ± 0.0002 Å
• c: 21.2777 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2480.1 ± 0.06 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No