Crystallography Open Database

Information card for entry 7156006

Preview

Coordinates	7156006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 O5
Calculated formula	C13 H16 O5
SMILES	Oc1c(OC)cc([C@H]2CC(=O)O[C@@H]2C)cc1OC.Oc1c(OC)cc([C@@H]2CC(=O)O[C@H]2C)cc1OC
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	7.4671 ± 0.0013 Å
b	32.535 ± 0.005 Å
c	5.2751 ± 0.0009 Å
α	90°
β	108.583 ± 0.004°
γ	90°
Cell volume	1214.7 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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.	7156006.cif
203884	2017-12-02	cif/ Adding structures of 7156003, 7156004, 7156005, 7156006, 7156007 via cif-deposit CGI script.	7156006.cif