Information card for entry 1504669

Structure parameters

• Formula: C37 H30 B Bi F4
• Calculated formula: C37 H30 B Bi F4
• SMILES: [Bi](c1ccc(cc1)C)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc2ccc3c4c2c1ccc4ccc3.[B](F)(F)(F)[F-]
• Title of publication: Triaryl(1-pyrenyl)bismuthonium salts: efficient photoinitiators for cationic polymerization of oxiranes and a vinyl ether.
• Authors of publication: Matano, Yoshihiro; Shinokura, Tomonori; Yoshikawa, Osamu; Imahori, Hiroshi
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 2167 - 2170
• a: 9.779 ± 0.003 Å
• b: 19.034 ± 0.005 Å
• c: 16.871 ± 0.005 Å
• α: 90°
• β: 102.501 ± 0.001°
• γ: 90°
• Cell volume: 3065.8 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0613
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No