Crystallography Open Database

Information card for entry 7063439

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Coordinates	7063439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 N2 O3 S
Calculated formula	C25 H24 N2 O3 S
Title of publication	Copper-Catalyzed Decarboxylative Ethynyl Methylene Cyclic Carbamates with Amines: Modular Synthesis of 3-Aminopyrroles
Authors of publication	Chen, Jiadong; Tang, Shengbiao
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	9.0475 ± 0.0001 Å
b	10.47 ± 0.0002 Å
c	12.6844 ± 0.0002 Å
α	70.937 ± 0.001°
β	82.24 ± 0.001°
γ	84.179 ± 0.001°
Cell volume	1123.16 ± 0.03 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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