Crystallography Open Database

Information card for entry 4519357

4519356 << 4519357 >> 4519358

Preview

Coordinates	4519357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H19 N O
Calculated formula	C29 H19 N O
SMILES	n1(c(c(c2ccccc12)c1ccccc1)c1ccccc1)C(=O)C#Cc1ccccc1
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	10.0432 ± 0.0003 Å
b	9.4172 ± 0.0003 Å
c	22.1188 ± 0.0006 Å
α	90°
β	98.0439 ± 0.0009°
γ	90°
Cell volume	2071.39 ± 0.11 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	0.0438
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
273264 (current)	2022-03-03	cif/ Adding structures of 4519357 via cif-deposit CGI script.	4519357.cif