Information card for entry 1550603

Structure parameters

• Formula: C52 H70 Ge2 N6 O2
• Calculated formula: C52 H70 Ge2 N6 O2
• SMILES: [Ge]12(O[Ge]3(O1)(N(C1=CC=CC=CC1=[N]3CC(C)C)CC(C)C)n1cccc1)([N](=C1C=CC=CC=C1N2CC(C)C)CC(C)C)n1cccc1.Cc1ccccc1.Cc1ccccc1
• 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: 10.595 ± 0.004 Å
• b: 15.635 ± 0.005 Å
• c: 14.875 ± 0.005 Å
• α: 90°
• β: 92.261 ± 0.006°
• γ: 90°
• Cell volume: 2462.2 ± 1.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.07
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No