Crystallography Open Database

Information card for entry 7114473

Preview

Coordinates	7114473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H15 I O3
Calculated formula	C10 H15 I O3
Title of publication	Synthesis of the bicyclic dienone core of the antitumor agent ottelione B
Authors of publication	Clive, Derrick L. J.; Fletcher, Stephen P.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	17
Pages of publication	1940
a	7.6901 ± 0.0005 Å
b	7.9975 ± 0.0005 Å
c	18.4359 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1133.84 ± 0.12 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0296
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
180258 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/44.	7114473.cif
116801	2014-06-13	cif/ Adding structures of 7114471, 7114472, 7114473 via cif-deposit CGI script.	7114473.cif