Crystallography Open Database

Information card for entry 1572562

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Coordinates	1572562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 N4 O4
Calculated formula	C24 H24 N4 O4
Title of publication	Deprotective Lossen rearrangement: a direct and general transformation of Nms-amides to unsymmetrical ureas
Authors of publication	Spieß, Philipp; Brześkiewicz, Jakub; Maulide, Nuno
Journal of publication	Chemical Science
Year of publication	2024
a	21.3525 ± 0.0012 Å
b	8.6525 ± 0.0005 Å
c	11.7801 ± 0.0008 Å
α	90°
β	105.852 ± 0.005°
γ	90°
Cell volume	2093.6 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1117
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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