Crystallography Open Database

Information card for entry 7135626

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Coordinates	7135626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 Br I N O3
Calculated formula	C19 H13 Br I N O3
Title of publication	Copper-catalyzed stereodefined synthesis of halogenated spirodihydrofurans
Authors of publication	Liu, Zi-Li; Yang, Yu-Heng; Chen, Ke; Wang, Xiang; Hao, Wen-Juan; Tu, Man-Su; Jiang, Bo
Journal of publication	Chemical Communications
Year of publication	2026
a	9.3319 ± 0.0003 Å
b	9.4965 ± 0.0003 Å
c	10.8223 ± 0.0004 Å
α	100.531 ± 0.0014°
β	92.6979 ± 0.0016°
γ	106.828 ± 0.0015°
Cell volume	897.44 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0478
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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