Information card for entry 4064675

Structure parameters

• Formula: C44 H28 F2 Ge
• Calculated formula: C44 H28 F2 Ge
• SMILES: [Ge]1(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C#Cc1cc(F)ccc1)C#Cc1cccc(c1)F
• Title of publication: Synthesis, Characterization, and Crystal Structures of 1,1-Disubstituted-2,3,4,5-tetraphenylgermoles That Exhibit Aggregation-Induced Emission
• Authors of publication: Bandrowsky, Teresa L.; Carroll, James B.; Braddock-Wilking, Janet
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 13
• Pages of publication: 3559
• a: 10.555 ± 0.002 Å
• b: 11.095 ± 0.002 Å
• c: 15.68 ± 0.003 Å
• α: 92.23 ± 0.03°
• β: 104.77 ± 0.03°
• γ: 113.52 ± 0.03°
• Cell volume: 1607.4 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections: 0.1121
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No