Crystallography Open Database

Information card for entry 7156005

Preview

Coordinates	7156005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 O7
Calculated formula	C18 H24 O7
SMILES	O(c1c(OC)cc(cc1OC)[C@@H](OC(=O)OC)C=C)C(=O)C(C)(C)C
Title of publication	Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.
Authors of publication	Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	2
Pages of publication	266 - 273
a	12.308 ± 0.007 Å
b	6.22 ± 0.003 Å
c	13.145 ± 0.007 Å
α	90°
β	108.591 ± 0.011°
γ	90°
Cell volume	953.8 ± 0.9 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230715 (current)	2019-11-17	cif/ Updating files of 7156003, 7156004, 7156005, 7156006, 7156007 Original log message: Adding full bibliography for 7156003--7156007.cif.	7156005.cif
203884	2017-12-02	cif/ Adding structures of 7156003, 7156004, 7156005, 7156006, 7156007 via cif-deposit CGI script.	7156005.cif