Crystallography Open Database

Information card for entry 4038412

Preview

Coordinates	4038412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H98 N8 O33 S8
Calculated formula	C90 H98 N8 O33 S8
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	20.6034 ± 0.0008 Å
b	20.133 ± 0.0008 Å
c	22.4357 ± 0.0008 Å
α	90°
β	91.989 ± 0.001°
γ	90°
Cell volume	9300.9 ± 0.6 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1719
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4038412.cif
252371	2020-05-27	cif/ Adding structures of 4038412 via cif-deposit CGI script.	4038412.cif