Crystallography Open Database

Information card for entry 7225249

Preview

Coordinates	7225249.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	9,10-Dimethyl-2,3,6,7-tetra-hydroxytriptycene hemihydratehemi-diethyl ether solvate
Formula	C24 H24 O5
Calculated formula	C24 H23 O5
Title of publication	Highly porous hydrogen-bond networks from a triptycene-based catechol
Authors of publication	Greatorex, Sam; Halcrow, Malcolm A.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	25
Pages of publication	4695
a	13.1161 ± 0.0004 Å
b	11.8371 ± 0.0003 Å
c	24.858 ± 0.0007 Å
α	90°
β	97.306 ± 0.003°
γ	90°
Cell volume	3828.03 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
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	0.1069
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1783
Weighted residual factors for all reflections included in the refinement	0.206
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185207 (current)	2016-08-07	cif/ Updating files of 7225245, 7225246, 7225247, 7225248, 7225249, 7225250, 7225251 Original log message: Adding full bibliography for 7225245--7225251.cif.	7225249.cif
182977	2016-05-17	cif/ Adding structures of 7225245, 7225246, 7225247, 7225248, 7225249, 7225250, 7225251 via cif-deposit CGI script.	7225249.cif