Crystallography Open Database

Information card for entry 2006240

2006239 << 2006240 >> 2006241

Preview

Coordinates	2006240.cif
Original IUCr paper	HTML

Structure parameters

Formula	C31 H46 O7
Calculated formula	C31 H46 O7
SMILES	O[C@H]1C[C@@H]2[C@](CC1)([C@@H]1[C@@H](CC2)[C@H]2[C@@]([C@@H](O)C1)(C)[C@H](CC2)[C@H](C)CCC(=O)O)C.Oc1ccccc1C(=O)O
Title of publication	A 1:1 Deoxycholic Acid–Salicylic Acid Complex
Authors of publication	Limmatvapirat, Sontaya; Yamaguchi, Kentaro; Yonemochi, Etsuo; Oguchi, Toshio; Yamamoto, Keiji
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	6
Pages of publication	803 - 805
a	15.866 ± 0.002 Å
b	17.32 ± 0.002 Å
c	10.3158 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2834.8 ± 0.5 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0444
Goodness-of-fit parameter for significantly intense reflections	1.867
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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