Crystallography Open Database

Information card for entry 7057640

Preview

Coordinates	7057640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 I N S
Calculated formula	C22 H14 I N S
Title of publication	Synthesis of thieno[2,3-c]acridine and furo[2,3-c]acridine derivatives via an iodocyclization reaction and their fluorescence properties and DFT mechanistic studies
Authors of publication	Sonawane, Amol D.; Garud, Dinesh R.; Udagawa, Taro; Kubota, Yasuhiro; Koketsu, Mamoru
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	18
Pages of publication	15315
a	9.935 ± 0.006 Å
b	20.797 ± 0.012 Å
c	17.5203 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3620 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.1688
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230482 (current)	2019-11-17	cif/ Updating files of 7057640 Original log message: Adding full bibliography for 7057640.cif.	7057640.cif
209556	2018-08-11	cif/ Adding structures of 7057640 via cif-deposit CGI script.	7057640.cif