Information card for entry 1546987

Structure parameters

• Formula: C39 H33 N2 O2 P S
• Calculated formula: C39 H33 N2 O2 P S
• SMILES: P(=C(c1ccccc1)/C(=N/S(=O)(=O)c1ccc(cc1)C)Nc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Room Temperature Multicomponent Polymerizations of Alkynes, Sulfonyl Azides, and Iminophosphorane toward Heteroatom-Rich Multifunctional Poly(phosphorus amidine)s
• Authors of publication: Xu, Liguo; Hu, Rongrong; Tang, Ben Zhong
• Journal of publication: Macromolecules
• Year of publication: 2017
• Journal volume: 50
• Journal issue: 16
• Pages of publication: 6043
• a: 10.9011 ± 0.0007 Å
• b: 12.3189 ± 0.001 Å
• c: 13.9641 ± 0.001 Å
• α: 104.914 ± 0.007°
• β: 97.452 ± 0.006°
• γ: 113.494 ± 0.007°
• Cell volume: 1603.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No