Crystallography Open Database

Information card for entry 4024751

Preview

Coordinates	4024751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 N O10 S
Calculated formula	C22 H25 N O10 S
Title of publication	Biomimetic Total Synthesis of (\±)-8-Oxoerymelanthine
Authors of publication	Yuki Yoshida; Kunihiko Mohri; Kimiaki Isobe; Toshimasa Itoh; Keiko Yamamoto
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	6010 - 6015
a	34.5631 ± 0.0007 Å
b	34.5631 ± 0.0007 Å
c	10.203 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	10555.6 ± 0.4 Å³
Cell temperature	93.1 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	0.804
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4024751.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4024751.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4024751.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4024751.cif
948	2010-01-19	cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition.	4024751.cif