Crystallography Open Database

Information card for entry 1546987

Preview

Coordinates	1546987.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
200484 (current)	2017-09-12	cif/ Adding structures of 1546987 via cif-deposit CGI script.	1546987.cif