Crystallography Open Database

Information card for entry 1540411

Preview

Coordinates	1540411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 N2 O
Calculated formula	C23 H20 N2 O
SMILES	O=C1N(c2ccc(cc2)C)C2=CC(C)(C)Cc3nc4c(c1c23)cccc4
Title of publication	Amidic C–N bond cleavage of isatin: chemoselective synthesis of pyrrolo[2,3,4- <i>kl</i> ]acridin-1-ones using Ag NPs decorated rGO composite as an efficient and recoverable catalyst under microwave irradiation
Authors of publication	Dandia, Anshu; Sharma, Amit; Parewa, Vijay; Kumawat, Begraj; Rathore, Kuldeep S.; Sharma, Amit
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	5
Journal issue	111
Pages of publication	91888 - 91902
a	9.7936 ± 0.0007 Å
b	10.0349 ± 0.0004 Å
c	10.3079 ± 0.0006 Å
α	110.403 ± 0.005°
β	101.163 ± 0.006°
γ	102.888 ± 0.005°
Cell volume	883.8 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	1540411.cif
169707	2015-10-23	cif/ Adding structures of 1540411 via cif-deposit CGI script.	1540411.cif