Crystallography Open Database

Information card for entry 4038413

Preview

Coordinates	4038413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H40 N4 O12 S4
Calculated formula	C45 H40 N4 O12 S4
Title of publication	The charge-assisted hydrogen-bonded organic framework (CAHOF) self-assembled from the conjugated acid of tetrakis(4-aminophenyl)methane and 2,6-naphthalenedisulfonate as a new class of recyclable Brønsted acid catalysts
Authors of publication	Kuznetsova, Svetlana A.; Gak, Alexander S.; Nelyubina, Yulia V.; Larionov, Vladimir A.; Li, Han; North, Michael; Zhereb, Vladimir P.; Smol'yakov, Alexander F.; Dmitrienko, Artem O.; Medvedev, Michael G.; Gerasimov, Igor S.; Saghyan, Ashot S.; Belokon, Yuri N.
Journal of publication	Beilstein Journal of Organic Chemistry
Year of publication	2020
Journal volume	16
Pages of publication	1124 - 1134
a	13.416 ± 0.007 Å
b	13.887 ± 0.007 Å
c	22.73 ± 0.012 Å
α	88.564 ± 0.008°
β	87.351 ± 0.008°
γ	89.836 ± 0.009°
Cell volume	4229 ± 4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.1772
Residual factor for significantly intense reflections	0.104
Weighted residual factors for significantly intense reflections	0.2283
Weighted residual factors for all reflections included in the refinement	0.2786
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
258197 (current)	2020-10-07	cif/ Updating files of 4038412, 4038413 Original log message: Adding full bibliography for 4038412--4038413.cif.	4038413.cif
252372	2020-05-27	cif/ Adding structures of 4038413 via cif-deposit CGI script.	4038413.cif