Crystallography Open Database

Information card for entry 2100216

Preview

Coordinates	2100216.cif
Original IUCr paper	HTML

Structure parameters

Formula	C24 H37 O5.5
Calculated formula	C24 H35.5 O5.5
Title of publication	Hydrogen-bonded aggregations of oxo-cholic acids
Authors of publication	Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga
Journal of publication	Acta Crystallographica Section B
Year of publication	2005
Journal volume	61
Journal issue	3
Pages of publication	346 - 356
a	26.6049 ± 0.0004 Å
b	7.7044 ± 0.0001 Å
c	22.9126 ± 0.0003 Å
α	90°
β	93.424 ± 0.001°
γ	90°
Cell volume	4688.12 ± 0.11 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1497
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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