Information card for entry 4114618

Structure parameters

• Chemical name: 3-Iode-1,2,3-tris(tri-tert-butylsilyl)cyclotrigermene
• Formula: C36 H81 Ge3 I Si3
• Calculated formula: C36 H81 Ge3 I Si3
• SMILES: I[Ge]1([Ge](=[Ge]1[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: The First Halogen-Substituted Cyclotrigermenes: A Unique Halogen Walk over the Three-Membered Ring Skeleton and Facial Stereoselectivity in the Diels-Alder Reaction
• Authors of publication: Akira Sekiguchi; Yutaka Ishida; Norihisa Fukaya; Masaaki Ichinohe; Nozomi Takagi; Shigeru Nagase
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 1158 - 1159
• a: 13.468 ± 0.001 Å
• b: 13.628 ± 0.001 Å
• c: 15.066 ± 0.0009 Å
• α: 74.952 ± 0.004°
• β: 81.617 ± 0.004°
• γ: 60.994 ± 0.003°
• Cell volume: 2334.8 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No