Crystallography Open Database

Information card for entry 7232719

Preview

Coordinates	7232719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 O3
Calculated formula	C16 H14 O3
Title of publication	Lanthanide complexes combined with chiral salen ligands: application in the enantioselective epoxidation reaction of α,β-unsaturated ketones
Authors of publication	Xia, Xuexiu; Lu, Chengrong; Zhao, Bei; Yao, Yingming
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	24
Pages of publication	13749
a	31.6601 ± 0.0008 Å
b	5.708 ± 0.0002 Å
c	15.2031 ± 0.0004 Å
α	90°
β	112.639 ± 0.002°
γ	90°
Cell volume	2535.75 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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