Crystallography Open Database

Information card for entry 7239174

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Coordinates	7239174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H17 Br N2 O3 S
Calculated formula	C22 H17 Br N2 O3 S
Title of publication	Chiral boron Lewis acid-catalyzed asymmetric synthesis of 4,5-dihydropyrrolo[1,2-a]quinoxalines
Authors of publication	Li, Yuan; Su, Yu-Han; Dong, De-Jun; Wu, Zhao; Tian, Shi-Kai
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	40
Pages of publication	18275
a	9.011 ± 0.0003 Å
b	10.3134 ± 0.0005 Å
c	22.7196 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2111.42 ± 0.15 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	6
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	0.0928
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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