Crystallography Open Database

Information card for entry 1505230

Preview

Coordinates	1505230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H56 O11
Calculated formula	C32 H53 O18
SMILES	O1[C@H]([C@@H]([C@H]([C@H](O)[C@H]1O[C@@H]1[C@@H](O[C@](CC[C@@H]2[C@@]3([C@@H](CC[C@@]2(O)C)C([C@H](CC3)O)(C)C)C)(C=C)C)O[C@@H]([C@@H](O)[C@@H]1O)C)O)O)C.O.O.O.O.O.O.O
Title of publication	Diterpenoid glycosides from the bitter fern Gleichenia quadripartita.
Authors of publication	Socolsky, Cecilia; Asakawa, Yoshinori; Bardón, Alicia
Journal of publication	Journal of natural products
Year of publication	2007
Journal volume	70
Journal issue	12
Pages of publication	1837 - 1845
a	11.136 ± 0.002 Å
b	11.655 ± 0.003 Å
c	15.148 ± 0.004 Å
α	90°
β	90.617 ± 0.007°
γ	90°
Cell volume	1965.9 ± 0.8 Å³
Cell temperature	298 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.2097
Weighted residual factors for all reflections included in the refinement	0.2417
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505230.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505230.cif
45439	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505230 via cif-deposit CGI script.	1505230.cif