Crystallography Open Database

Information card for entry 7244523

Preview

Coordinates	7244523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 N3 O6
Calculated formula	C26 H25 N3 O6
SMILES	O=C1N(C(=O)C(=C(\c2ccc(cc2)C)C(=O)OCC)/[C@@]1([C@@H]1C(=O)N(C(=O)C1)C)c1ncccc1)C.O=C1N(C(=O)C(=C(\c2ccc(cc2)C)C(=O)OCC)/[C@]1([C@H]1C(=O)N(C(=O)C1)C)c1ncccc1)C
Title of publication	Blue LED induced solvent-free multicomponent reactions among aryl diazoacetates, pyridine derivatives and maleimides: direct eco-friendly synthesis of densely functionalized itaconimides
Authors of publication	Maiti, Debajit; Das, Ranajit; Prabakar, Tejas; Sen, Subhabrata
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	7
Pages of publication	3001 - 3008
a	12.6825 ± 0.0003 Å
b	14.325 ± 0.0004 Å
c	26.5675 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4826.7 ± 0.2 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 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	0.1499
Residual factor for significantly intense reflections	0.1071
Weighted residual factors for significantly intense reflections	0.288
Weighted residual factors for all reflections included in the refinement	0.3348
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
274995 (current)	2022-05-05	cif/ Updating files of 7244523 Original log message: Adding full bibliography for 7244523.cif.	7244523.cif
273173	2022-02-26	cif/ Adding structures of 7244523 via cif-deposit CGI script.	7244523.cif