Information card for entry 1550602

Structure parameters

• Formula: C39 H28 B F15 Ge N2 O S
• Calculated formula: C39 H28 B F15 Ge N2 O S
• 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)(Sc2ccccc2)[N](=C2C=CC=CC=C2N1CC(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: 15.032 ± 0.014 Å
• b: 11.229 ± 0.012 Å
• c: 23.3 ± 0.02 Å
• α: 90°
• β: 104.94 ± 0.04°
• γ: 90°
• Cell volume: 3800 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No