Information card for entry 1550612

Structure parameters

• Formula: C37 H32 B F15 Ge N2 O2
• Calculated formula: C37 H32 B F15 Ge N2 O2
• SMILES: [Ge]1(O[B](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)(OC(C)(C)C)N(C2=CC=CC=CC2=[N]1CC(C)C)CC(C)C
• Title of publication: Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity
• Authors of publication: Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 11.415 ± 0.003 Å
• b: 38.762 ± 0.014 Å
• c: 17.556 ± 0.006 Å
• α: 90°
• β: 96.277 ± 0.008°
• γ: 90°
• Cell volume: 7721 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1042
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No