Crystallography Open Database

Information card for entry 1553443

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Coordinates	1553443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 N2 S
Calculated formula	C23 H24 N2 S
SMILES	c1ccc(C2=NN(C(CC2(C)C)Cc2ccccc2)c2ccccc2)s1
Title of publication	Hydroamination of alkenyl N-arylhydrazones mediated by t-BuOK for the synthesis of nitrogen heterocycles
Authors of publication	Peng, Xingao; Kaga, Atsushi; Hirao, Hajime; Chiba, Shunsuke
Journal of publication	Organic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	5
Pages of publication	609
a	11.6939 ± 0.0007 Å
b	9.4598 ± 0.0005 Å
c	16.9069 ± 0.001 Å
α	90°
β	91.481 ± 0.003°
γ	90°
Cell volume	1869.65 ± 0.19 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0851
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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