Crystallography Open Database

Information card for entry 7158171

Preview

Coordinates	7158171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H32 O3 P2
Calculated formula	C39 H32 O3 P2
SMILES	P(=O)(C1(c2cc(C)ccc2Oc2c1cccc2)CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	A metal-free radical cascade reaction of phosphine oxides with 2-aryloxy phenylacetylenes to synthesize diphosphonyl xanthene derivatives.
Authors of publication	Fan, Tao; Liu, Yan; Jiang, Caina; Xu, Yanli; Chen, Yanyan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	30
Pages of publication	6609 - 6612
a	10.8036 ± 0.0009 Å
b	11.4967 ± 0.0009 Å
c	15.6103 ± 0.0014 Å
α	95.672 ± 0.007°
β	91.026 ± 0.007°
γ	113.558 ± 0.008°
Cell volume	1765.1 ± 0.3 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.1988
Weighted residual factors for all reflections included in the refinement	0.22
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
268946 (current)	2021-09-06	cif/ Updating files of 7158171 Original log message: Adding full bibliography for 7158171.cif.	7158171.cif
267577	2021-07-16	cif/ Adding structures of 7158171 via cif-deposit CGI script.	7158171.cif