Crystallography Open Database

Information card for entry 7249469

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Coordinates	7249469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 F N4 O8 S
Calculated formula	C22 H29 F N4 O8 S
Title of publication	Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties
Authors of publication	Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	44
Pages of publication	6260 - 6268
a	9.104 ± 0.003 Å
b	10.937 ± 0.004 Å
c	12.774 ± 0.005 Å
α	86.214 ± 0.011°
β	71.917 ± 0.01°
γ	82.894 ± 0.012°
Cell volume	1199.3 ± 0.8 Å³
Cell temperature	301 K
Ambient diffraction temperature	301 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1757
Residual factor for significantly intense reflections	0.0902
Weighted residual factors for significantly intense reflections	0.2316
Weighted residual factors for all reflections included in the refinement	0.2646
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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