Crystallography Open Database

Information card for entry 7113381

Preview

Coordinates	7113381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H15 Co2 N O13
Calculated formula	C22 H15 Co2 N O13
SMILES	[Co]12([Co]3([CH]1=[C]23[C@@H]1O[C@H](C(C1)(C(=O)OC)C(=O)OC)c1ccc(cc1)N(=O)=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[Co]12([Co]3([CH]1=[C]23[C@H]1O[C@@H](C(C1)(C(=O)OC)C(=O)OC)c1ccc(cc1)N(=O)=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Novel formation and use of a Nicholas carbocation in the synthesis of highly substituted tetrahydrofurans.
Authors of publication	Christie, Steven D. R.; Davoile, Ryan J.; Elsegood, Mark R. J.; Fryatt, Ross; Jones, Raymond C. F.; Pritchard, Gareth J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	21
Pages of publication	2474 - 2475
a	6.8834 ± 0.0015 Å
b	8.189 ± 0.0018 Å
c	23.757 ± 0.005 Å
α	83.215 ± 0.004°
β	86.122 ± 0.004°
γ	67.37 ± 0.004°
Cell volume	1227 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1132
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.1681
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
180247 (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 7/11/33.	7113381.cif
114612	2014-05-28	cif/ Adding structures of 7113381 via cif-deposit CGI script.	7113381.cif