Crystallography Open Database

Information card for entry 7135728

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Coordinates	7135728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Br N2 O3 S
Calculated formula	C18 H19 Br N2 O3 S
Title of publication	Enantioselective synthesis of chiral cyclic hydroxylamine ethers <i>via</i> NiH-catalyzed cyclization of alkyne-oxime ethers.
Authors of publication	Zhou, Lijin; Fang, Jingjing; Tong, Xiaofeng; Qi, Linjun
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2026
Journal volume	62
Journal issue	32
Pages of publication	8289 - 8292
a	10.9109 ± 0.0002 Å
b	5.4517 ± 0.0001 Å
c	16.0369 ± 0.0003 Å
α	90°
β	95.255 ± 0.001°
γ	90°
Cell volume	949.91 ± 0.03 Å³
Cell temperature	257 ± 2 K
Ambient diffraction temperature	257 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0228
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.0614
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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