Crystallography Open Database

Information card for entry 7225247

Preview

Coordinates	7225247.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene ethyl acetate solvate
Formula	C26 H26 O8
Calculated formula	C26 H26 O8
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	8.8058 ± 0.0005 Å
b	9.1775 ± 0.0006 Å
c	14.0128 ± 0.0008 Å
α	84.071 ± 0.005°
β	85.136 ± 0.004°
γ	82.927 ± 0.005°
Cell volume	1114.83 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.1941
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	7225247.cif
182977	2016-05-17	cif/ Adding structures of 7225245, 7225246, 7225247, 7225248, 7225249, 7225250, 7225251 via cif-deposit CGI script.	7225247.cif