Crystallography Open Database

Information card for entry 7133037

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Coordinates	7133037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 F3 N O8 S
Calculated formula	C23 H28 F3 N O8 S
Title of publication	Enantioselective de novo synthesis of 14-hydroxy-6-oxomorphinans
Authors of publication	Moore, Jonathan Christopher; Modell, Louis; Glenn, Jacqueline R.; Jones, Kieran D.; Argent, Stephen; Lane, J. Robert; Canals, Meritxell; Lam, Hon Wai
Journal of publication	Chemical Communications
Year of publication	2024
a	12.4612 ± 0.0002 Å
b	10.5196 ± 0.0001 Å
c	20.4828 ± 0.0003 Å
α	90°
β	107.749 ± 0.002°
γ	90°
Cell volume	2557.22 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0255
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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