Crystallography Open Database

Information card for entry 4107192

Preview

Coordinates	4107192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H42.5 F3 N O5.5
Calculated formula	C29 H42 F3 N O5.25
Title of publication	Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer
Authors of publication	Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	19844 - 19856
a	10.083 ± 0.006 Å
b	10.455 ± 0.005 Å
c	15.23 ± 0.007 Å
α	84.552 ± 0.007°
β	88.78 ± 0.01°
γ	62.157 ± 0.006°
Cell volume	1412.7 ± 1.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1595
Residual factor for significantly intense reflections	0.0957
Weighted residual factors for significantly intense reflections	0.23
Weighted residual factors for all reflections included in the refinement	0.2753
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
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.	4107192.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107192.cif
54844	2012-04-30	cif/ Adding structures of 4107192 via cif-deposit CGI script.	4107192.cif