Crystallography Open Database

Information card for entry 7240246

Preview

Coordinates	7240246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 N2 O4
Calculated formula	C28 H30 N2 O4
SMILES	O(C(=O)[C@]1(c2c(n(c3c2cccc3)C)[C@@](c2c3ccccc3n(c2)C)(C(=O)OCC)C1)C)CC
Title of publication	Synthesis of α-indolylacrylates as potential anticancer agents using a Brønsted acid ionic liquid catalyst and the butyl acetate solvent
Authors of publication	El-Harairy, Ahmed; Shaheen, Mennatallah; Li, Jun; Wu, Yuzhou; Li, Minghao; Gu, Yanlong
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	23
Pages of publication	13507 - 13516
a	16.179 ± 0.002 Å
b	8.8178 ± 0.0015 Å
c	17.233 ± 0.002 Å
α	90°
β	103.819 ± 0.013°
γ	90°
Cell volume	2387.4 ± 0.6 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.199
Weighted residual factors for all reflections included in the refinement	0.2059
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
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
258111 (current)	2020-10-06	cif/ Updating files of 7240246 Original log message: Adding full bibliography for 7240246.cif.	7240246.cif
249997	2020-04-03	cif/ Adding structures of 7240246 via cif-deposit CGI script.	7240246.cif