Crystallography Open Database

Information card for entry 7232547

Preview

Coordinates	7232547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 N5 O4
Calculated formula	C15 H17 N5 O4
Title of publication	Merging catalyst-free synthesis and iodine catalysis: one-pot synthesis of dihydrofuropyrimidines and spirodihydrofuropyrimidine pyrazolones
Authors of publication	Zheng, Ya-Yun; Feng, Kai-Xiang; Xia, Ai-Bao; Liu, Jie; Tang, Cheng-Ke; Zhou, Zhan-Yu; Xu, Dan-Qian
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	17
Pages of publication	9770
a	23.832 ± 0.004 Å
b	7.711 ± 0.001 Å
c	19.479 ± 0.003 Å
α	90°
β	107.35 ± 0.012°
γ	90°
Cell volume	3416.8 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.2324
Residual factor for significantly intense reflections	0.1288
Weighted residual factors for significantly intense reflections	0.3391
Weighted residual factors for all reflections included in the refinement	0.4207
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
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/7232547.html