Crystallography Open Database

Information card for entry 7241664

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Coordinates	7241664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3.67 H4.17 N0.5 O1.17
Calculated formula	C3.6667 H4.1668 N0.5 O1.1667
Title of publication	Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation
Authors of publication	Awatani, Ayano; Suzuki, Masaaki
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	64
Pages of publication	39033 - 39036
a	13.202 ± 0.007 Å
b	13.202 ± 0.007 Å
c	6.454 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	974.2 ± 0.9 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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