Crystallography Open Database

Information card for entry 7155130

Preview

Coordinates	7155130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 N2 O6
Calculated formula	C14 H18 N2 O6
SMILES	C1CC[C@@H]2[C@H]3[C@@H]([C@](C(=O)OC)(CC(=O)OC)N12)C(=O)NC3=O.C1CC[C@H]2[C@@H]3[C@H]([C@@](C(=O)OC)(CC(=O)OC)N12)C(=O)NC3=O
Title of publication	Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.
Authors of publication	Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	27
Pages of publication	6497 - 6507
a	8.7507 ± 0.0008 Å
b	13.2608 ± 0.0011 Å
c	12.676 ± 0.0011 Å
α	90°
β	93.655 ± 0.004°
γ	90°
Cell volume	1467.9 ± 0.2 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	0.0806
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
185642 (current)	2016-08-07	cif/ Updating files of 7155130, 7155131, 7155132, 7155133, 7155134, 7155135, 7155136, 7155137, 7155138, 7155139, 7155140, 7155141, 7155142, 7155143 Original log message: Adding full bibliography for 7155130--7155143.cif.	7155130.cif
183205	2016-06-01	cif/ Adding structures of 7155130, 7155131, 7155132, 7155133, 7155134, 7155135, 7155136, 7155137, 7155138, 7155139, 7155140, 7155141, 7155142, 7155143 via cif-deposit CGI script.	7155130.cif