Crystallography Open Database

Information card for entry 7117703

Preview

Coordinates	7117703.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	S-2c
Formula	C94 H116 N8 O17
Calculated formula	C94 H116 N8 O17
Title of publication	Switching of inherent chirality driven by self-assembly
Authors of publication	Hanna Jedrzejewska; Marcin Kwit; Agnieszka Szumna
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	13799
a	18.7521 ± 0.0004 Å
b	23.0271 ± 0.0004 Å
c	25.3314 ± 0.0004 Å
α	90°
β	89.8645 ± 0.0019°
γ	90°
Cell volume	10938.2 ± 0.3 Å³
Cell temperature	99.97 ± 0.15 K
Ambient diffraction temperature	99.97 ± 0.15 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0991
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1667
Weighted residual factors for all reflections included in the refinement	0.1843
Goodness-of-fit parameter for all reflections included in the refinement	0.907
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7117703.html