Crystallography Open Database

Information card for entry 7060742

Preview

Coordinates	7060742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 B2 O4
Calculated formula	C18 H12 B2 O4
Title of publication	Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand
Authors of publication	Cheng, Jun; Lu, Chengrong; Zhao, Bei
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	29
Pages of publication	13096 - 13103
a	22.542 ± 0.002 Å
b	4.7936 ± 0.0005 Å
c	6.9265 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	748.46 ± 0.13 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297.15 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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