Crystallography Open Database

Information card for entry 7250465

Preview

Coordinates	7250465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 N O4
Calculated formula	C19 H21 N O4
Title of publication	Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids
Authors of publication	Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	27
Pages of publication	4686 - 4698
a	7.9935 ± 0.0007 Å
b	10.9224 ± 0.001 Å
c	11.3553 ± 0.001 Å
α	76.15 ± 0.005°
β	75.668 ± 0.005°
γ	72.689 ± 0.005°
Cell volume	902.21 ± 0.14 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.0908
Weighted residual factors for significantly intense reflections	0.2727
Weighted residual factors for all reflections included in the refinement	0.2846
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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