Information card for entry 4133396

Structure parameters

• Formula: C39 H33 Ge N O2
• Calculated formula: C39 H33 Ge N O2
• SMILES: [Ge](C(=C(N1C(=O)OCC1(C)C)\C#Cc1ccccc1)/c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Radical Germylzincation of α-Heteroatom-Substituted Alkynes.
• Authors of publication: de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 50
• Pages of publication: 17632 - 17642
• a: 11.0689 ± 0.0002 Å
• b: 17.7248 ± 0.0003 Å
• c: 16.4657 ± 0.0003 Å
• α: 90°
• β: 90.862 ± 0.001°
• γ: 90°
• Cell volume: 3230.11 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No