Crystallography Open Database

Information card for entry 7158190

Preview

Coordinates	7158190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H25 O5 P
Calculated formula	C30 H25 O5 P
SMILES	P(=O)(C1(Oc2c(C(=C1)c1ccccc1)cc(OC)cc2)C(=O)OC)(c1ccccc1)c1ccccc1
Title of publication	Y(OTf)<sub>3</sub>-catalyzed phosphorylation of 2H-chromene hemiacetals with P(O)-H compounds to 2-phosphorylated 2H-chromenes.
Authors of publication	Zheng, Shi-Lu; Zou, Yun-Xiang; Wen, Zhong; Lin, Jia-Fu; Gu, Ling-Hui; Chen, Long
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	31
Pages of publication	6812 - 6816
a	9.32193 ± 0.00005 Å
b	15.92387 ± 0.00009 Å
c	17.03098 ± 0.00008 Å
α	90°
β	91.9636 ± 0.0004°
γ	90°
Cell volume	2526.61 ± 0.02 Å³
Cell temperature	299.51 ± 0.12 K
Ambient diffraction temperature	299.51 ± 0.12 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	0.0417
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268906 (current)	2021-09-06	cif/ Updating files of 7158190 Original log message: Adding full bibliography for 7158190.cif.	7158190.cif
267730	2021-07-24	cif/ Adding structures of 7158190 via cif-deposit CGI script.	7158190.cif