Crystallography Open Database

Information card for entry 7243423

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Coordinates	7243423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 N2 O7
Calculated formula	C21 H25 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	21.387 ± 0.01 Å
b	6.419 ± 0.003 Å
c	18.467 ± 0.008 Å
α	90°
β	121.541 ± 0.007°
γ	90°
Cell volume	2160.7 ± 1.7 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1078
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1904
Weighted residual factors for all reflections included in the refinement	0.2199
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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