Crystallography Open Database

Information card for entry 7131489

Preview

Coordinates	7131489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Br2 N O2
Calculated formula	C18 H15 Br2 N O2
Title of publication	Lewis/Brønsted acid-mediated cyclization/amidation of 1,6-enynes with nitriles: access to 3-enamide substituted dihydrobenzofurans.
Authors of publication	Chen, Zan; Huang, Wenting; Su, Yu; Jiang, Huanfeng; Wu, Wanqing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	30
Pages of publication	4523 - 4526
a	9.1676 ± 0.001 Å
b	4.898 ± 0.0006 Å
c	19.342 ± 0.002 Å
α	90°
β	92.437 ± 0.003°
γ	90°
Cell volume	867.73 ± 0.17 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	0.978
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7131489.html