Crystallography Open Database

Information card for entry 7132033

7132032 << 7132033 >> 7132034

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Coordinates	7132033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Cl N3 O S
Calculated formula	C13 H12 Cl N3 O S
Title of publication	Highly Chemoselective Homologative Assembly of the α-Substituted Methylsulfinamide Motif from N-Sulfinylamines
Authors of publication	Malik, Monika; Senatore, Raffaele; Castiglione, Davide; Roller, Alexander; Pace, Vittorio
Journal of publication	Chemical Communications
Year of publication	2023
a	7.7841 ± 0.0008 Å
b	10.3422 ± 0.001 Å
c	17.0738 ± 0.0017 Å
α	81.082 ± 0.003°
β	85.679 ± 0.003°
γ	89.945 ± 0.003°
Cell volume	1354 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1453
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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