Crystallography Open Database

Information card for entry 1546435

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Coordinates	1546435.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(trans)-Ethyl 1-benzoyl-2-phenylindoline-3-carboxylate
Formula	C24 H21 N O3
Calculated formula	C24 H21 N O3
SMILES	[C@@H]1([C@@H](c2ccccc2N1C(=O)c1ccccc1)C(=O)OCC)c1ccccc1.[C@H]1([C@H](c2ccccc2N1C(=O)c1ccccc1)C(=O)OCC)c1ccccc1
Title of publication	A sustainable synthesis of 2-aryl-3-carboxylate indolines from N-aryl enamines under visible light irradiation
Authors of publication	Wu, Cheng-Juan; Cao, Wen-Xiao; Lei, Tao; Li, Zhi-Hua; Meng, Qing-Yuan; Yang, Xiu-Long; Chen, Bin; Ramamurthy, Vaidhyanathan; Tung, Chen-Ho; Wu, Li-Zhu
Journal of publication	Chemical Communications
Year of publication	2017
Journal volume	53
Journal issue	59
Pages of publication	8320 - 8323
a	17.0796 ± 0.0014 Å
b	13.6704 ± 0.0008 Å
c	18.9052 ± 0.0013 Å
α	90°
β	116.272 ± 0.009°
γ	90°
Cell volume	3958.1 ± 0.6 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 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	0.0746
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.161
Weighted residual factors for all reflections included in the refinement	0.1741
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1546435.cif
198295	2017-07-01	cif/ Adding structures of 1546435 via cif-deposit CGI script.	1546435.cif