Crystallography Open Database

Information card for entry 7250772

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Coordinates	7250772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H60 N14
Calculated formula	C36 H58.6662 N14
Title of publication	π-Stacked organic frameworks with captured ammonia for benzamide synthesis
Authors of publication	Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	36
Pages of publication	6074 - 6078
a	20.5422 ± 0.0007 Å
b	20.5422 ± 0.0007 Å
c	7.9574 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	2908 ± 0.2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.191
Weighted residual factors for all reflections included in the refinement	0.2148
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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