Crystallography Open Database

Information card for entry 7243427

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Coordinates	7243427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 F6 N2 O7
Calculated formula	C24 H28 F6 N2 O7
Title of publication	Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility
Authors of publication	Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	39
Pages of publication	6942 - 6951
a	6.722 ± 0.002 Å
b	19.671 ± 0.006 Å
c	20.29 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2682.9 ± 1.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1069
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1579
Weighted residual factors for all reflections included in the refinement	0.1813
Goodness-of-fit parameter for all reflections included in the refinement	0.907
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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