Crystallography Open Database

Information card for entry 7132523

Preview

Coordinates	7132523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H44 N8 O8
Calculated formula	C49 H44 N8 O8
Title of publication	Hydrogen-bonded frameworks containing aliphatic 3D linkers show high-capacity water vapour sorption.
Authors of publication	Muang-Non, Phonlakrit; Zhou, Carmen; Macreadie, Lauren K.; White, Nicholas G.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	6
Pages of publication	746 - 749
a	13.879 ± 0.005 Å
b	12.595 ± 0.004 Å
c	27.719 ± 0.012 Å
α	90°
β	102.35 ± 0.04°
γ	90°
Cell volume	4733 ± 3 Å³
Cell temperature	313.11 ± 0.1 K
Ambient diffraction temperature	313.11 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1789
Residual factor for significantly intense reflections	0.1102
Weighted residual factors for significantly intense reflections	0.2598
Weighted residual factors for all reflections included in the refinement	0.3184
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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