Information card for entry 4114617

Structure parameters

• Chemical name: 3-Bromo-1,2,3-tris(tri-t-butylsilyl)cyclotrigermene
• Formula: C36 H81 Br Ge3 Si3
• Calculated formula: C36 H81 Br Ge3 Si3
• SMILES: Br[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: 13.486 ± 0.001 Å
• b: 13.66 ± 0.0016 Å
• c: 14.986 ± 0.0019 Å
• α: 74.53 ± 0.005°
• β: 82.005 ± 0.006°
• γ: 60.497 ± 0.005°
• Cell volume: 2315.6 ± 0.5 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: 0.1139
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No