Crystallography Open Database

Information card for entry 7121815

Preview

Coordinates	7121815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H85 Cl3 N2 O6 P2
Calculated formula	C57 H85 Cl3 N2 O6 P2
Title of publication	Reductive coupling of two aldehydes to unsymmetrical E-alkenes via phosphaalkene and phosphinate intermediates.
Authors of publication	Mai, Juri; Arkhypchuk, Anna I.; Gupta, Arvind Kumar; Ott, Sascha
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	52
Pages of publication	7163 - 7166
a	10.7916 ± 0.001 Å
b	17.0045 ± 0.0017 Å
c	17.0443 ± 0.0017 Å
α	90.205 ± 0.002°
β	96.705 ± 0.002°
γ	106.832 ± 0.002°
Cell volume	2971 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.1232
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2224
Weighted residual factors for all reflections included in the refinement	0.2608
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228188 (current)	2019-11-17	cif/ Updating files of 7121814, 7121815 Original log message: Adding full bibliography for 7121814--7121815.cif.	7121815.cif
208259	2018-06-11	cif/ Adding structures of 7121814, 7121815 via cif-deposit CGI script.	7121815.cif