Crystallography Open Database

Information card for entry 2203614

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Structure parameters

Common name	Talatisidine
Chemical name	20-N-Ethyl-1,8,14-trihydroxy-16β,18-dimethoxylycoctonine
Formula	C23 H37 N O5
Calculated formula	C23 H37 N O5
SMILES	O[C@H]1CC[C@]2([C@@H]3C[C@H]4[C@@]5(O)[C@H]6[C@@H]([C@@]13[C@H]4N(C2)CC)C[C@H]([C@H]6O)[C@H](OC)C5)COC
Title of publication	20-<i>N</i>-Ethyl-1,8,14-trihydroxy-16β,18-dimethoxylycoctonine
Authors of publication	Shaheen, Farzana; Ahmad, Manzoor; Anjum, Shazia; Rahman, Azhar Abdul; Fun, Hoong-Kun; Ahmad, Habib; Choudhary, M. Iqbal; Atta-ur-Rahman
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	5
Pages of publication	o774 - o776
a	24.189 ± 0.007 Å
b	7.747 ± 0.002 Å
c	13.31 ± 0.004 Å
α	90°
β	120.943 ± 0.005°
γ	90°
Cell volume	2139.2 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0652
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1302
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.281
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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