Crystallography Open Database

Information card for entry 4024281

Preview

Coordinates	4024281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H23 O3 P
Calculated formula	C17 H23 O3 P
SMILES	P1(=O)(OC2(C(=C1C)c1ccccc1)CCCCC2)OCC
Title of publication	CuX2-Mediated Halolactonization Reaction of Monoesters of 1,2-Allenyl Phosphonic Acids and Their Suzuki Cross-Coupling Reaction
Authors of publication	Fei Yu; Xiongdong Lian; Jinbo Zhao; Yihua Yu; Shengming Ma
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	1130 - 1134
a	6.226 ± 0.002 Å
b	16.249 ± 0.005 Å
c	15.613 ± 0.005 Å
α	90°
β	94.785 ± 0.007°
γ	90°
Cell volume	1574.2 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1223
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	0.924
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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