Crystallography Open Database

Information card for entry 1523614

Preview

Coordinates	1523614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 N O4
Calculated formula	C16 H13 N O4
SMILES	COC(=O)c1c2c(c3c(cccc3)[nH]2)cc(c1)C(=O)OC
Title of publication	Palladium-Catalyzed Triple Successive C-H Functionalization: Direct Synthesis of Functionalized Carbazoles from Indoles.
Authors of publication	Verma, Akhilesh K.; Danodia, Abhinandan K.; Saunthwal, Rakesh K.; Patel, Monika; Choudhary, Deepak
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	15
Pages of publication	3658 - 3661
a	24.4884 ± 0.0013 Å
b	7.9625 ± 0.0004 Å
c	18.5286 ± 0.0011 Å
α	90°
β	131.954 ± 0.003°
γ	90°
Cell volume	2686.8 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1523614.cif
154773	2015-09-06	cif/ Updating files of 1523614 Original log message: Adding full bibliography for 1523614.cif.	1523614.cif
144235	2015-07-11	cif/ Adding structures of 1523614 via cif-deposit CGI script.	1523614.cif