Crystallography Open Database

Information card for entry 2237648

Preview

Coordinates	2237648.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	5,11-Ditosyl-5<i>H</i>,11<i>H</i>-dibenzo[<i>b</i>,<i>f</i>][1,5]diazocine-6,12-dione acetic acid hemisolvate
Formula	C29 H24 N2 O7 S2
Calculated formula	C29 H24 N2 O7 S2
Title of publication	5,11-Ditosyl-5<i>H</i>,11<i>H</i>-dibenzo[<i>b</i>,<i>f</i>][1,5]diazocine-6,12-dione acetic acid hemisolvate
Authors of publication	Abbassi, Najat; Bassou, Oulemda; Rakib, El Mostapha; Saadi, Mohamed; El Ammari, Lahcen
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	4
Pages of publication	o614 - o615
a	8.6933 ± 0.0011 Å
b	11.1746 ± 0.0018 Å
c	14.8051 ± 0.0019 Å
α	87.042 ± 0.004°
β	74.37 ± 0.005°
γ	75.097 ± 0.004°
Cell volume	1338.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2237648.cif
85388	2013-05-07	cif/ Adding structures of 2237648 via cif-deposit CGI script.	2237648.cif