Crystallography Open Database

Information card for entry 1571172

Preview

Coordinates	1571172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H27 O2 P
Calculated formula	C38 H27 O2 P
SMILES	P(=O)(C12c3c4c(cccc4)ccc3OC1=C(c1ccccc1)c1c(C2)cccc1)(c1ccccc1)c1ccccc1
Title of publication	Pd-catalyzed divergent regioselective annulation of phosphinyl allenes accessing polyarylfurans and 2<i>H</i>-chromenes.
Authors of publication	Li, Yang; Yan, Xiao-Long; Hu, Li-Yan; Luo, Kai; Zhu, Jie; Wu, Lei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	28
Pages of publication	3814 - 3817
a	10.0902 ± 0.001 Å
b	20.276 ± 0.002 Å
c	14.0678 ± 0.0015 Å
α	90°
β	104.978 ± 0.003°
γ	90°
Cell volume	2780.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
290796 (current)	2024-04-05	cif/ Updating files of 1571172, 1571173 Original log message: Adding full bibliography for 1571172--1571173.cif.	1571172.cif
290390	2024-03-08	cif/ Adding structures of 1571172, 1571173 via cif-deposit CGI script.	1571172.cif