Crystallography Open Database

Information card for entry 7232548

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Coordinates	7232548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 N6 O3
Calculated formula	C24 H24 N6 O3
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	18.8434 ± 0.0007 Å
b	9.6451 ± 0.0003 Å
c	12.5493 ± 0.0005 Å
α	90°
β	100.324 ± 0.001°
γ	90°
Cell volume	2243.87 ± 0.14 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	0.0786
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1537
Weighted residual factors for all reflections included in the refinement	0.1739
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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