Crystallography Open Database

Information card for entry 7157472

Preview

Coordinates	7157472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Br2 N2 O4
Calculated formula	C32 H27.9983 Br2.0024 N2 O4
Title of publication	Fluorescent supramolecular hierarchical self-assemblies from glycosylated 4-amino- and 4-bromo-1,8-naphthalimides.
Authors of publication	Calatrava-Pérez, Elena; Acherman, Stefan; Stricker, Lucas; McManus, Gavin; Delente, Jason; Lynes, Amy D.; Henwood, Adam F.; Lovitt, June I.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Kotova, Oxana; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	18
Pages of publication	3475 - 3480
a	4.4247 ± 0.0003 Å
b	16.1174 ± 0.001 Å
c	19.4957 ± 0.0013 Å
α	99.692 ± 0.002°
β	94.484 ± 0.002°
γ	92.775 ± 0.002°
Cell volume	1363.61 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.01 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	0.042
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation probe	x-ray
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
252925 (current)	2020-06-05	cif/ Updating files of 7157470, 7157471, 7157472 Original log message: Adding full bibliography for 7157470--7157472.cif.	7157472.cif
250878	2020-04-17	cif/ Adding structures of 7157470, 7157471, 7157472 via cif-deposit CGI script.	7157472.cif