Crystallography Open Database

Information card for entry 7245828

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Coordinates	7245828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H37 B Br0.5 O P
Calculated formula	C29 H37 B Br0.5 O P
Title of publication	Bifunctional organoboron–phosphonium catalysts for coupling reactions of CO2 and epoxides
Authors of publication	Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	50
Pages of publication	32440 - 32447
a	10.031 ± 0.0003 Å
b	12.2645 ± 0.0004 Å
c	12.4476 ± 0.0004 Å
α	69.305 ± 0.001°
β	66.304 ± 0.001°
γ	73.148 ± 0.001°
Cell volume	1292.08 ± 0.07 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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