Crystallography Open Database

Information card for entry 1572561

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Coordinates	1572561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 N2 O2
Calculated formula	C14 H16 N2 O2
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
Journal volume	15
Journal issue	38
Pages of publication	15799 - 15803
a	9.8956 ± 0.0005 Å
b	10.1319 ± 0.0005 Å
c	11.9988 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1203.01 ± 0.12 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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