Crystallography Open Database

Information card for entry 7134137

Preview

Coordinates	7134137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H29 O6
Calculated formula	C45 H29.0001 O6
Title of publication	A non-interpenetrated mesoporous hydrogen-bonded organic framework constructed with 1,3,5-tri(4-carboxyphenyl)benzene.
Authors of publication	Cui, Peng; Zhang, Hanyu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	13
Pages of publication	2742 - 2745
a	28.129 ± 0.003 Å
b	7.0621 ± 0.0006 Å
c	28.162 ± 0.003 Å
α	90°
β	100.63 ± 0.007°
γ	90°
Cell volume	5498.4 ± 1 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1601
Residual factor for significantly intense reflections	0.0901
Weighted residual factors for significantly intense reflections	0.2293
Weighted residual factors for all reflections included in the refinement	0.2819
Goodness-of-fit parameter for all reflections included in the refinement	0.777
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
298035 (current)	2025-03-04	cif/ Updating files of 7134136, 7134137 Original log message: Adding full bibliography for 7134136--7134137.cif.	7134137.cif
297191	2025-01-08	cif/ Adding structures of 7134136, 7134137 via cif-deposit CGI script.	7134137.cif