Crystallography Open Database

Information card for entry 1507929

Preview

Coordinates	1507929.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-(p-hydroxyphenyl)-7-thiomethyl-1-oxaazulan-2-one
Formula	C33 H26 Cl2 O6 S2
Calculated formula	C33 H26 Cl2 O6 S2
Title of publication	The Jekyll-and-Hyde chemistry of Phaeobacter gallaeciensis.
Authors of publication	Seyedsayamdost, Mohammad R.; Case, Rebecca J.; Kolter, Roberto; Clardy, Jon
Journal of publication	Nature chemistry
Year of publication	2011
Journal volume	3
Journal issue	4
Pages of publication	331 - 335
a	14.755 ± 0.003 Å
b	14.831 ± 0.003 Å
c	7.1877 ± 0.0016 Å
α	90°
β	95.469 ± 0.004°
γ	90°
Cell volume	1565.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1123
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.1911
Weighted residual factors for all reflections included in the refinement	0.2151
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
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.	1507929.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507929.cif
62475	2012-07-09	cif/ Adding structures of 1507929 via cif-deposit CGI script.	1507929.cif