Crystallography Open Database

Information card for entry 7248676

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Coordinates	7248676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H40 Cl4 N4 O6
Calculated formula	C33 H40 Cl4 N4 O6
Title of publication	New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium
Authors of publication	Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	24
Pages of publication	3206 - 3216
a	9.6753 ± 0.0003 Å
b	9.9173 ± 0.0003 Å
c	19.001 ± 0.0005 Å
α	88.365 ± 0.002°
β	79.728 ± 0.003°
γ	88.551 ± 0.003°
Cell volume	1792.87 ± 0.09 Å³
Cell temperature	294 ± 1 K
Ambient diffraction temperature	294 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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