Crystallography Open Database

Information card for entry 7061727

Preview

Coordinates	7061727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H23 Cl N2 O5
Calculated formula	C30 H23 Cl N2 O5
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	7.9046 ± 0.0004 Å
b	24.3443 ± 0.0012 Å
c	13.5076 ± 0.0008 Å
α	90°
β	92.1513 ± 0.0018°
γ	90°
Cell volume	2597.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1225
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1513
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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