Information card for entry 1552835

Structure parameters

• Formula: C41 H37 P
• Calculated formula: C41 H37 P
• SMILES: P(c1c(C)cccc1CC(c1ccccc1)(c1ccccc1)c1ccccc1)(C)C(c1ccccc1)c1ccccc1
• Title of publication: An Addition‒Isomerization Mechanism for the Anionic Polymerization of MesP═CPh2 and m-XylP═CPh2
• Authors of publication: Rawe, Benjamin W.; Priegert, Andrew M.; Wang, Shuai; Schiller, Carl; Gerke, Sonja; Gates, Derek P.
• Journal of publication: Macromolecules
• Year of publication: 2018
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 2621
• a: 12.623 ± 0.007 Å
• b: 15.369 ± 0.01 Å
• c: 16.556 ± 0.01 Å
• α: 90°
• β: 102.684 ± 0.014°
• γ: 90°
• Cell volume: 3134 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90.15 K
• Number of distinct elements: 3
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No