Crystallography Open Database

Information card for entry 4507437

Preview

Coordinates	4507437.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bong 1887
Formula	C22 H34 F4 N20 O13
Calculated formula	C22 H34 F4 N20 O13
Title of publication	Small-molecule/polymer recognition triggers aqueous-phase assembly and encapsulation.
Authors of publication	Zhou, Zhun; Bong, Dennis
Journal of publication	Langmuir : the ACS journal of surfaces and colloids
Year of publication	2013
Journal volume	29
Journal issue	1
Pages of publication	144 - 150
a	11.9773 ± 0.0002 Å
b	12.7553 ± 0.0002 Å
c	13.8238 ± 0.0002 Å
α	64.064 ± 0.001°
β	68.361 ± 0.001°
γ	79.224 ± 0.001°
Cell volume	1764.53 ± 0.05 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 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	0.0709
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
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
179610 (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 4/50/74.	4507437.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507437.cif
73990	2013-02-21	cif/ Adding structures of 4507437 via cif-deposit CGI script.	4507437.cif