Crystallography Open Database

Information card for entry 7226470

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Coordinates	7226470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H90 N8 O13 S2
Calculated formula	C48 H90 N8 O13 S2
Title of publication	‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study
Authors of publication	Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	37
Pages of publication	7021
a	19.1853 ± 0.0005 Å
b	16.9662 ± 0.0004 Å
c	19.0342 ± 0.0005 Å
α	90°
β	109.85 ± 0.003°
γ	90°
Cell volume	5827.5 ± 0.3 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.2289
Weighted residual factors for all reflections included in the refinement	0.2406
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
187051 (current)	2016-10-08	cif/ Updating files of 7226468, 7226469, 7226470, 7226471, 7226472, 7226473, 7226474, 7226475, 7226476 Original log message: Adding full bibliography for 7226468--7226476.cif.	7226470.cif
186194	2016-09-06	cif/ Adding structures of 7226468, 7226469, 7226470, 7226471, 7226472, 7226473, 7226474, 7226475, 7226476 via cif-deposit CGI script.	7226470.cif