Crystallography Open Database

Information card for entry 1504591

Preview

Coordinates	1504591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H31 N2 O2 P S
Calculated formula	C38 H31 N2 O2 P S
SMILES	S(=O)(=O)(/N=C(\Nc1ccccc1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Copper-catalyzed multicomponent reaction: facile access to novel phosphorus amidines.
Authors of publication	Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	6
Pages of publication	1267 - 1269
a	11.2087 ± 0.0005 Å
b	12.0664 ± 0.0005 Å
c	13.4025 ± 0.0006 Å
α	103.995 ± 0.0013°
β	112.391 ± 0.001°
γ	97.9045 ± 0.0011°
Cell volume	1572.08 ± 0.12 Å³
Cell temperature	296 ± 1 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 significantly intense reflections	0.0401
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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