Crystallography Open Database

Information card for entry 7133039

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Coordinates	7133039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 N O3
Calculated formula	C19 H23 N O3
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	10.163 ± 0.0001 Å
b	13.6943 ± 0.0002 Å
c	11.4184 ± 0.0001 Å
α	90°
β	92.889 ± 0.001°
γ	90°
Cell volume	1587.14 ± 0.03 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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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