Information card for entry 1550604

Structure parameters

• Formula: C40 H30 B Cl2 F15 Ge N2 O
• Calculated formula: C40 H30 B Cl2 F15 Ge N2 O
• 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)(N(C2=CC=CC=CC2=[N]1CC(C)C)CC(C)C)c1ccccc1.ClCCl
• 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: 12.501 ± 0.003 Å
• b: 12.739 ± 0.003 Å
• c: 15.229 ± 0.004 Å
• α: 97.161 ± 0.008°
• β: 106.18 ± 0.008°
• γ: 115.904 ± 0.007°
• Cell volume: 2008.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No