Crystallography Open Database

Information card for entry 4504266

Preview

Coordinates	4504266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 N5 O8
Calculated formula	C42 H24 N5 O8
Title of publication	The Role of Cocrystals in Solid-State Synthesis: Cocrystal-Controlled Solid-State Synthesis of Imides
Authors of publication	Cheney, Miranda L.; McManus, Gregory J.; Perman, Jason A.; Wang, Zhenqiang; Zaworotko, Michael J.
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	4
Pages of publication	616
a	7.1569 ± 0.0014 Å
b	8.1962 ± 0.0017 Å
c	15.448 ± 0.003 Å
α	98.287 ± 0.004°
β	102.202 ± 0.004°
γ	96.564 ± 0.004°
Cell volume	866.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1282
Residual factor for significantly intense reflections	0.0869
Weighted residual factors for significantly intense reflections	0.2019
Weighted residual factors for all reflections included in the refinement	0.2323
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179577 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/42.	4504266.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504266.cif
45011	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504266 via cif-deposit CGI script.	4504266.cif