Crystallography Open Database

Information card for entry 7121622

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Coordinates	7121622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.5 H26.5 N O3 S2
Calculated formula	C22 H23 N O3 S2
Title of publication	Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.
Authors of publication	Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	44
Pages of publication	5622 - 5625
a	15.72773 ± 0.00019 Å
b	8.01122 ± 0.00007 Å
c	18.9065 ± 0.0003 Å
α	90°
β	111.479 ± 0.0015°
γ	90°
Cell volume	2216.75 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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