Crystallography Open Database

Information card for entry 1562619

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Coordinates	1562619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16 N4 O5 S
Calculated formula	C21 H16 N4 O5 S
Title of publication	Carbene-Catalyzed Enantioselective Annulation of Dinucleophilic Hydrazones and Bromoenals for Access to Aryl-Dihydropyridazinones and Related Drugs
Authors of publication	Mondal, Bivas; Maiti, Rakesh; Yang, Xing; Xu, Jun; Tian, Weiyi; Yan, Jialei; Li, Xiangyang; Chi, Yonggui Robin
Journal of publication	Chemical Science
Year of publication	2021
a	7.345 ± 0.0004 Å
b	11.5313 ± 0.0008 Å
c	23.7692 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2013.2 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.0649
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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