Crystallography Open Database

Information card for entry 7225248

Preview

Coordinates	7225248.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene chloroform solvate
Formula	C24.15 H20.15 Cl6.44 O6
Calculated formula	C23 H19 Cl3 O6
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	23.2178 ± 0.0016 Å
b	25.566 ± 0.002 Å
c	10.7276 ± 0.0007 Å
α	90°
β	116.349 ± 0.006°
γ	90°
Cell volume	5706.2 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1144
Residual factor for significantly intense reflections	0.0868
Weighted residual factors for significantly intense reflections	0.2545
Weighted residual factors for all reflections included in the refinement	0.2839
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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