Crystallography Open Database

Information card for entry 7159461

Preview

Coordinates	7159461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 N4 O6
Calculated formula	C36 H34 N4 O6
Title of publication	Tandem ring-opening and formal [3 + 2] cycloaddition of furo[2,3-<i>d</i>]pyrimidine-2,4-diones.
Authors of publication	Huang, Li; Han, Ying; Sun, Jing; Sun, Qiu; Yan, Chao-Guo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	29
Pages of publication	6028 - 6033
a	10.9191 ± 0.0006 Å
b	15.44 ± 0.0009 Å
c	21.1104 ± 0.0012 Å
α	90°
β	96.9191 ± 0.0016°
γ	90°
Cell volume	3533.1 ± 0.3 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	0.1679
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.1978
Weighted residual factors for all reflections included in the refinement	0.2362
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285498 (current)	2023-08-05	cif/ Updating files of 7159461, 7159462, 7159463 Original log message: Adding full bibliography for 7159461--7159463.cif.	7159461.cif
285078	2023-07-07	cif/ Adding structures of 7159461, 7159462, 7159463 via cif-deposit CGI script.	7159461.cif