Crystallography Open Database

Information card for entry 7059505

Preview

Coordinates	7059505.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	AMC22
Formula	C20 H30 Br2 N2 O2
Calculated formula	C20 H30 Br2 N2 O2
Title of publication	The effect of vicinal di-halo substituents on the organogelling properties of aromatic supramolecular gelators and their application as soft templates
Authors of publication	Mac Cormack, Andrea S.; Busch, Verónica M.; Japas, M. Laura; Giovanetti, Lisandro; Di Salvo, Florencia; Di Chenna, Pablo H.
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	20
Pages of publication	8198 - 8208
a	14.5709 ± 0.0014 Å
b	17.1752 ± 0.0012 Å
c	8.9783 ± 0.001 Å
α	90°
β	103.868 ± 0.011°
γ	90°
Cell volume	2181.4 ± 0.4 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0879
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
257803 (current)	2020-10-06	cif/ Updating files of 7059505, 7059506 Original log message: Adding full bibliography for 7059505--7059506.cif.	7059505.cif
252876	2020-06-05	cif/ Updating files of 7059505, 7059506 Original log message: Adding full bibliography for 7059505--7059506.cif.	7059505.cif
250914	2020-04-18	cif/ Adding structures of 7059505, 7059506 via cif-deposit CGI script.	7059505.cif