Crystallography Open Database

Information card for entry 7061760

Preview

Coordinates	7061760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H124 Br4 N20 O8 P4
Calculated formula	C84 H124 Br4 N20 O8 P4
Title of publication	Regioselective transformation of 3-phosphoryl benzyne intermediates to diverse phosphorus-substituted arenes
Authors of publication	Wang, Jing; Li, Zenghui; You, Gaoqiang; Xu, Liang; Gao, Pin; Rao, Bin
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	35
Pages of publication	17049 - 17054
a	16.2044 ± 0.0005 Å
b	28.6736 ± 0.0009 Å
c	21.3349 ± 0.0007 Å
α	90°
β	107.471 ± 0.001°
γ	90°
Cell volume	9455.7 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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