Crystallography Open Database

Information card for entry 1575628

Preview

Coordinates	1575628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 P S
Calculated formula	C14 H19 P S
Title of publication	Phospha-Peterson reactions with esters and thioesters: isolation of phosphaalkenes bearing C-heteroatom substituents.
Authors of publication	Mitchell, Aaron A.; Heine, Paul A.; Chang, Joseph; De Paolis, Adam; Patrick, Brian O.; Gates, Derek P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	38
Pages of publication	14277 - 14285
a	22.5639 ± 0.0014 Å
b	7.9075 ± 0.0005 Å
c	14.7859 ± 0.0009 Å
α	90°
β	94.28 ± 0.002°
γ	90°
Cell volume	2630.8 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
302698 (current)	2025-10-06	cif/ Updating files of 1575627, 1575628, 1575629, 1575630, 1575631 Original log message: Adding full bibliography for 1575627--1575631.cif.	1575628.cif
302040	2025-09-06	cif/ Adding structures of 1575627, 1575628, 1575629, 1575630, 1575631 via cif-deposit CGI script.	1575628.cif