Crystallography Open Database

Information card for entry 7242163

Preview

Coordinates	7242163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 N2 O4
Calculated formula	C15 H22 N2 O4
Title of publication	Catalytic intermolecular aldol reactions of transient amide enolates in domino Michael/aldol reactions of nitroalkanes, acrylamides, and aldehydes
Authors of publication	Morita, Shunya; Yoshimura, Tomoyuki; Matsuo, Jun-ichi
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	3
Pages of publication	1160 - 1164
a	9.448 ± 0.007 Å
b	11.423 ± 0.009 Å
c	30.49 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	3291 ± 4 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.2338
Residual factor for significantly intense reflections	0.1122
Weighted residual factors for significantly intense reflections	0.233
Weighted residual factors for all reflections included in the refinement	0.2951
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262665 (current)	2021-03-05	cif/ Updating files of 7242163 Original log message: Adding full bibliography for 7242163.cif.	7242163.cif
261181	2021-01-24	cif/ Adding structures of 7242163 via cif-deposit CGI script.	7242163.cif