Crystallography Open Database

Information card for entry 1571413

Preview

Coordinates	1571413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H24 Cl3 O3 P
Calculated formula	C32 H23 O3 P
Title of publication	Expedient radical phosphonylations <i>via</i> ligand to metal charge transfer on bismuth.
Authors of publication	Patra, Jatin; Nair, Akshay M.; Volla, Chandra M. R.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	19
Pages of publication	7136 - 7143
a	12.6015 ± 0.0003 Å
b	16.8085 ± 0.0002 Å
c	14.3074 ± 0.0003 Å
α	90°
β	112.713 ± 0.002°
γ	90°
Cell volume	2795.47 ± 0.1 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
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
292882 (current)	2024-07-05	cif/ Updating files of 1571411, 1571412, 1571413 Original log message: Adding full bibliography for 1571411--1571413.cif.	1571413.cif
291146	2024-04-10	cif/ Adding structures of 1571411, 1571412, 1571413 via cif-deposit CGI script.	1571413.cif