Information card for entry 1550606

Structure parameters

• Formula: C39 H41 B F15 Ge N3 O Si2
• Calculated formula: C39 H41 B F15 Ge N3 O Si2
• SMILES: [Ge]1(O[Si](C)(C)C)([N](=C2C=CC=CC=C2N1CC(C)C)CC(C)C)=[N]([Si](C)(C)C)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• 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: 11.6826 ± 0.0007 Å
• b: 12.4053 ± 0.0008 Å
• c: 17.1901 ± 0.0011 Å
• α: 83.572 ± 0.002°
• β: 87.402 ± 0.002°
• γ: 73.342 ± 0.002°
• Cell volume: 2371.5 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 102.71 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: 0.0617
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No