Information card for entry 1554164

Structure parameters

• Formula: C28 H30 N O P
• Calculated formula: C28 H30 N O P
• SMILES: P(/c1c(cc(cc1C)C)C)=C(/c1cc(C2OC[C@@H](N=2)C(C)C)ccc1)c1ccccc1
• Title of publication: Addition-Isomerization Polymerization of Chiral Phosphaalkenes: Observation of Styrene‒Phosphaalkene Linkages in a Random Copolymer
• Authors of publication: Serin, Spencer C.; Dake, Gregory R.; Gates, Derek P.
• Journal of publication: Macromolecules
• Year of publication: 2016
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 4067
• a: 8.5926 ± 0.0016 Å
• b: 6.5428 ± 0.0013 Å
• c: 20.975 ± 0.004 Å
• α: 90°
• β: 99.002 ± 0.004°
• γ: 90°
• Cell volume: 1164.7 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No