Crystallography Open Database

Information card for entry 7251697

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Coordinates	7251697.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1
Formula	C12 H10 I N O
Calculated formula	C12 H10 I N O
Title of publication	Visible light-mediated stereoselective haloalkylation of bicyclic alkenes
Authors of publication	Tang, Yan; Ponnam, Devendar; Ma, Zhifeng; Tao, Xiong; Sun, Long; Yang, Hekun; Chen, Jingchao; Fan, Baomin
Journal of publication	Green Chemistry
Year of publication	2026
Journal volume	28
Journal issue	5
Pages of publication	2422 - 2428
a	12.713 ± 0.0003 Å
b	9.9112 ± 0.0003 Å
c	17.8424 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2248.16 ± 0.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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