Crystallography Open Database

Information card for entry 1100662

Preview

Coordinates	1100662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 N O5 S
Calculated formula	C23 H23 N O5 S
Title of publication	Crystal Structure of Ketotifen Fumarate
Authors of publication	Akimoto, Toshio; Hirayama, Noriaki
Journal of publication	Analytical Sciences: X-ray Structure Analysis Online
Year of publication	2003
Journal volume	19
Pages of publication	x25 - x26
a	10.0901 ± 0.0006 Å
b	11.776 ± 0.0007 Å
c	18.82 ± 0.0007 Å
α	74.054 ± 0.002°
β	81.034 ± 0.003°
γ	88.4315 ± 0.0007°
Cell volume	2123.6 ± 0.2 Å³
Cell temperature	296.1 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 significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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