Information card for entry 4133392

Structure parameters

• Formula: C36 H31 Ge N O2
• Calculated formula: C36 H31 Ge N O2
• SMILES: [Ge](C(=C\N1C(=O)OC[C@@H]1Cc1ccccc1)\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: 9.5716 ± 0.0004 Å
• b: 9.5716 ± 0.0004 Å
• c: 64.226 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5884.1 ± 0.4 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No