Crystallography Open Database

Information card for entry 7240252

Preview

Coordinates	7240252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 N3 O6
Calculated formula	C25 H27 N3 O6
Title of publication	Synthesis of highly substituted tetrahydroquinolines using ethyl cyanoacetate via aza-Michael‒Michael addition
Authors of publication	Palanimuthu, Arunan; Chen, Chinpiao; Lee, Gene-Hsian
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	23
Pages of publication	13591 - 13600
a	9.4969 ± 0.0002 Å
b	12.723 ± 0.0003 Å
c	20.1047 ± 0.0005 Å
α	89.5889 ± 0.0012°
β	87.0347 ± 0.0011°
γ	88.2917 ± 0.0012°
Cell volume	2424.86 ± 0.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0559
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258112 (current)	2020-10-06	cif/ Updating files of 7240251, 7240252 Original log message: Adding full bibliography for 7240251--7240252.cif.	7240252.cif
250087	2020-04-04	cif/ Adding structures of 7240251, 7240252 via cif-deposit CGI script.	7240252.cif