Crystallography Open Database

Information card for entry 7061724

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Coordinates	7061724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H18 Br Cl N2 O3
Calculated formula	C26 H18 Br Cl N2 O3
Title of publication	Selective synthesis of multifunctionalized cyclopent-3-ene-1-carboxamides and 2-oxabicyclo[2.2.1]heptane derivatives
Authors of publication	Zheng, Hui; Han, Ying; Xu, Feng-Shun; Sun, Jing; Yan, Chao-Guo
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	36
Pages of publication	17161 - 17166
a	10.3893 ± 0.0006 Å
b	10.7399 ± 0.0006 Å
c	10.9483 ± 0.0006 Å
α	86.555 ± 0.002°
β	73.723 ± 0.002°
γ	73.066 ± 0.002°
Cell volume	1121.49 ± 0.11 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	0.04
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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