Crystallography Open Database

Information card for entry 7224844

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Coordinates	7224844.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[HHTP.TBA.OAc]n
Formula	C37 H55 N O9
Calculated formula	C37 H55 N O9
Title of publication	Anion-templated 2D frameworks from hexahydroxytriphenylene
Authors of publication	Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	23
Pages of publication	4281
a	13.0411 ± 0.0002 Å
b	16.2078 ± 0.0003 Å
c	16.6185 ± 0.0002 Å
α	90°
β	90.0656 ± 0.0014°
γ	90°
Cell volume	3512.61 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for all reflections	0.2184
Weighted residual factors for significantly intense reflections	0.2146
Weighted residual factors for all reflections included in the refinement	0.2184
Goodness-of-fit parameter for all reflections included in the refinement	0.9951
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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