Crystallography Open Database

Information card for entry 1502002

1502001 << 1502002 >> 1502003

Preview

Coordinates	1502002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H56.76 O8.38
Calculated formula	C32 H53 O8.375
Title of publication	Phyteumosides A and B: new saponins with unique triterpenoid aglycons from Phyteuma orbiculare L.
Authors of publication	Abbet, Christian; Neuburger, Markus; Wagner, Trixie; Quitschau, Melanie; Hamburger, Matthias; Potterat, Olivier
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	6
Pages of publication	1354 - 1357
a	6.4777 ± 0.0015 Å
b	16.504 ± 0.005 Å
c	29.762 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	3181.8 ± 1.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 2 21
Hall space group symbol	P 2ac 2ac
Residual factor for all reflections	0.1551
Residual factor for significantly intense reflections	0.088
Weighted residual factors for all reflections	0.2294
Weighted residual factors for significantly intense reflections	0.1988
Weighted residual factors for all reflections included in the refinement	0.2294
Goodness-of-fit parameter for all reflections included in the refinement	0.9538
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502002.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502002.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502002.cif
35333	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502002, 1502003 via cif-deposit CGI script.	1502002.cif