Crystallography Open Database

Information card for entry 7225246

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Coordinates	7225246.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene diethyl ether solvate
Formula	C30 H38 O8
Calculated formula	C30 H38 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	13.3213 ± 0.0002 Å
b	13.3213 ± 0.0002 Å
c	31.0721 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5513.96 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	110
Hermann-Mauguin space group symbol	I 41 c d
Hall space group symbol	I 4bw -2c
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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