Crystallography Open Database

Information card for entry 2010474

2010473 << 2010474 >> 2010475

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Coordinates	2010474.cif
Original IUCr paper	HTML

Structure parameters

Formula	C39 H50 N5 O10
Calculated formula	C39 H50 N5 O10
Title of publication	Ergotamine Tartrate Bis(ethanol) Solvate
Authors of publication	Pakhomova, S.; Ondrack, M.; Kratochvil, B.; Jegporov, A.; Stuchlik, J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	2
Pages of publication	308 - 311
a	11.358 ± 0.002 Å
b	25.591 ± 0.005 Å
c	13.497 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3923.1 ± 1.2 Å³
Cell temperature	295 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.047
Goodness-of-fit parameter for significantly intense reflections	0.8386
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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