Crystallography Open Database

Information card for entry 4519311

4519310 << 4519311 >> 4519312

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Coordinates	4519311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 N3 O3 S
Calculated formula	C15 H15 N3 O3 S
Title of publication	Acid-Catalyzed Hydrolysis and Intramolecular Cyclization of <i>N</i>-Cyano Sulfoximines for the Synthesis of Thiadiazine 1-Oxides.
Authors of publication	Oh, In Seok; Seo, Ye Ji; Hyun, Ji Young; Lim, Hwan Jung; Lee, Duck-Hyung; Park, Seong Jun
Journal of publication	ACS omega
Year of publication	2022
Journal volume	7
Journal issue	2
Pages of publication	2160 - 2169
a	8.6805 ± 0.0002 Å
b	9.276 ± 0.0002 Å
c	10.4682 ± 0.0002 Å
α	75.499 ± 0.001°
β	83.008 ± 0.001°
γ	67.834 ± 0.001°
Cell volume	755.39 ± 0.03 Å³
Cell temperature	296 ± 1 K
Ambient diffraction temperature	296 ± 1 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	0.0675
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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