Crystallography Open Database

Information card for entry 4504780

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Coordinates	4504780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 Cl2 N O4
Calculated formula	C18 H17 Cl2 N O4
Title of publication	Supramolecular Assembly in Cinnamate Structures: The Influence of the Ammonium Ion and Halogen Interactions
Authors of publication	Chowdhury, Masrur; Kariuki, Benson M.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	3
Pages of publication	774
a	39.987 ± 0.002 Å
b	5.9313 ± 0.0003 Å
c	7.5657 ± 0.0004 Å
α	90°
β	94.379 ± 0.004°
γ	90°
Cell volume	1789.16 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.1971
Weighted residual factors for all reflections included in the refinement	0.2054
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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