Crystallography Open Database

Information card for entry 7057681

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Coordinates	7057681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 N8 O10
Calculated formula	C18 H24 N8 O10
Title of publication	Structural reorganization in a hydrogen-bonded organic framework
Authors of publication	Castells-Gil, Javier; Padial, Natalia M.; Martí-Gastaldo, Carlos
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	19
Pages of publication	16138
a	16.8679 ± 0.0006 Å
b	18.4531 ± 0.0007 Å
c	7.079 ± 0.0003 Å
α	90°
β	94.738 ± 0.004°
γ	90°
Cell volume	2195.92 ± 0.15 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.2853
Weighted residual factors for all reflections included in the refinement	0.289
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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