Crystallography Open Database

Information card for entry 7153126

Preview

Coordinates	7153126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 Br N O3
Calculated formula	C19 H14 Br N O3
SMILES	Brc1ccc(/C=C(c2[nH]c3c(cccc3)c2C=O)/C(=O)OC)cc1
Title of publication	l-Proline catalyzed stereoselective synthesis of (E)-methyl-α-indol-2-yl-β-aryl/alkyl acrylates: easy access to substituted carbazoles, γ-carbolines and prenostodione.
Authors of publication	Biswas, Soumen; Jaiswal, Pradeep Kumar; Singh, Shivendra; Mobin, Shaikh M.; Samanta, Sampak
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	41
Pages of publication	7084 - 7087
a	11.3964 ± 0.0009 Å
b	7.3357 ± 0.0006 Å
c	20.4793 ± 0.0007 Å
α	90°
β	103.585 ± 0.005°
γ	90°
Cell volume	1664.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0988
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
180317 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/31.	7153126.cif
88968	2013-10-09	cif/ Adding structures of 7153126, 7153127 via cif-deposit CGI script.	7153126.cif