Crystallography Open Database

Information card for entry 1505222

Preview

Coordinates	1505222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H40.5 Cl O4.75
Calculated formula	C25 H39 Cl O4.75
Title of publication	Dehydroxychlorofusarielin B, an antibacterial polyoxygenated decalin derivative from the marine-derived fungus Aspergillus sp.
Authors of publication	Nguyen, Hung Phi; Zhang, Dahai; Lee, Uk; Kang, Jung Sook; Choi, Hong Dae; Son, Byeng Wha
Journal of publication	Journal of natural products
Year of publication	2007
Journal volume	70
Journal issue	7
Pages of publication	1188 - 1190
a	11.0682 ± 0.0006 Å
b	17.38 ± 0.001 Å
c	29.355 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5646.9 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.2537
Residual factor for significantly intense reflections	0.105
Weighted residual factors for significantly intense reflections	0.2329
Weighted residual factors for all reflections included in the refinement	0.3119
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1505222.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505222.cif
45432	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505222 via cif-deposit CGI script.	1505222.cif