Crystallography Open Database

Information card for entry 7247842

Preview

Coordinates	7247842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 N2 O8
Calculated formula	C30 H22 N2 O8
SMILES	c1(c(c(c2c3ccccc3c(c(c3ccc(cc3)N(=O)=O)n12)c1ccccc1)C(=O)OC)C(=O)OC)C(=O)OC
Title of publication	A domino reaction for the synthesis of pyrrolo[2,1-a]isoquinolines from 2-aryl-pyrrolidines and alkynes promoted by a four-component catalytic system under aerobic conditions
Authors of publication	Luo, Zheng; Hu, Huayou; Wang, Chao; Yang, Zhen; Wang, Yefei
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	50
Pages of publication	35617 - 35620
a	10.4827 ± 0.0004 Å
b	11.1537 ± 0.0004 Å
c	12.5636 ± 0.0005 Å
α	77.997 ± 0.001°
β	76.934 ± 0.001°
γ	62.455 ± 0.001°
Cell volume	1259.59 ± 0.08 Å³
Cell temperature	172 ± 2 K
Ambient diffraction temperature	172 ± 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	0.0584
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
288110 (current)	2023-12-07	cif/ Adding structures of 7247842, 7247843 via cif-deposit CGI script.	7247842.cif