Crystallography Open Database

Information card for entry 7245576

Preview

Coordinates	7245576.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	7d
Formula	C25 H27 N3 O5
Calculated formula	C25 H27 N3 O5
Title of publication	Base-selective access to highly functionalized heterocycles from multicomponent Ugi adducts
Authors of publication	González-Saiz, Beatriz; Pertejo, Pablo; Peña-Calleja, Pablo; Mielczarek, Marcin; Hermosilla, Tomás; Carreira-Barral, Israel; de Miguel, Olivia; Rodríguez-Vidal, Francisco; Quesada, Roberto; García-Valverde, María
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	20
Pages of publication	7988 - 7995
a	10.1914 ± 0.0011 Å
b	10.379 ± 0.0011 Å
c	11.8123 ± 0.0013 Å
α	73.566 ± 0.002°
β	67.677 ± 0.002°
γ	83.029 ± 0.002°
Cell volume	1108.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	0.914
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
278987 (current)	2022-11-07	cif/ Updating files of 7245575, 7245576, 7245577, 7245578, 7245579 Original log message: Adding full bibliography for 7245575--7245579.cif.	7245576.cif
278259	2022-09-29	cif/ Adding structures of 7245575, 7245576, 7245577, 7245578, 7245579 via cif-deposit CGI script.	7245576.cif