Crystallography Open Database

Information card for entry 7242972

Preview

Coordinates	7242972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H19 N6 O6
Calculated formula	C33 H19 N6 O6
Title of publication	A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium
Authors of publication	Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	27
Pages of publication	4840 - 4847
a	10.7535 ± 0.0007 Å
b	8.9587 ± 0.0006 Å
c	27.8995 ± 0.0019 Å
α	90°
β	96.321 ± 0.001°
γ	90°
Cell volume	2671.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
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	0.1367
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1396
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
268640 (current)	2021-09-06	cif/ Updating files of 7242972, 7242973, 7242974 Original log message: Adding full bibliography for 7242972--7242974.cif.	7242972.cif
266190	2021-06-06	cif/ Adding structures of 7242972, 7242973, 7242974 via cif-deposit CGI script.	7242972.cif