Crystallography Open Database

Information card for entry 4519356

4519355 << 4519356 >> 4519357

Preview

Coordinates	4519356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 N O4
Calculated formula	C26 H21 N O4
SMILES	O=c1n(c2c(c(c1C(=O)c1ccccc1)C)cccc2)C(c1ccccc1)C(=O)OC
Title of publication	Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.
Authors of publication	Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian
Journal of publication	ACS omega
Year of publication	2022
Journal volume	7
Journal issue	7
Pages of publication	5713 - 5729
a	8.7961 ± 0.0001 Å
b	16.2533 ± 0.0003 Å
c	14.8259 ± 0.0002 Å
α	90°
β	93.4435 ± 0.0005°
γ	90°
Cell volume	2115.77 ± 0.05 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0472
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273263 (current)	2022-03-03	cif/ Adding structures of 4519356 via cif-deposit CGI script.	4519356.cif