Crystallography Open Database

Information card for entry 2236140

Preview

Coordinates	2236140.cif
Original IUCr paper	HTML

Structure parameters

Common name	3-<i>epi</i>-Dammarenediol II 1.075 hydrate
Chemical name	3α,20(<i>S</i>)-Dihydroxydammar-24-ene 1.075 hydrate
Formula	C30 H54.14 O3.07
Calculated formula	C30 H54.14 O3.07
Title of publication	3-<i>epi</i>-Dammarenediol II 1.075 hydrate: a dammarane triterpene from the bark of <i>Aglaia eximia</i>
Authors of publication	Fun, Hoong-Kun; Chantrapromma, Suchada; Supriadin, Asep; Harneti, Desi; Supratman, Unang
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	11
Pages of publication	o3089 - o3090
a	19.9481 ± 0.0013 Å
b	19.9481 ± 0.0013 Å
c	7.341 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2921.2 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	77
Hermann-Mauguin space group symbol	P 42
Hall space group symbol	P 4c
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1502
Weighted residual factors for all reflections included in the refinement	0.1616
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2236140.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2236140.cif
69684	2012-12-21	cif/ Adding structures of 2236140 via cif-deposit CGI script.	2236140.cif