Crystallography Open Database

Information card for entry 1529321

Preview

Coordinates	1529321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H68 N4 O13
Calculated formula	C56 H68 N4 O13
Title of publication	Investigating hydrogel formation using in situ variable-temperature scanning probe microscopy
Authors of publication	Barker, Emily C.; Goh, Ching Yong; Jones, Franca; Mocerino, Mauro; Skelton, Brian W.; Becker, Thomas; Ogden, Mark I.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	11
Pages of publication	6133
a	36.2659 ± 0.0002 Å
b	36.2659 ± 0.0002 Å
c	36.2659 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	47697.5 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	209
Hermann-Mauguin space group symbol	F 4 3 2
Hall space group symbol	F 4 2 3
Residual factor for all reflections	0.1253
Residual factor for significantly intense reflections	0.1157
Weighted residual factors for significantly intense reflections	0.3037
Weighted residual factors for all reflections included in the refinement	0.3188
Goodness-of-fit parameter for all reflections included in the refinement	1.323
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
170985 (current)	2015-12-09	cif/ Updating files of 1529321 Original log message: Adding full bibliography for 1529321.cif.	1529321.cif
152712	2015-08-04	cif/ Adding structures of 1529321 via cif-deposit CGI script.	1529321.cif