Crystallography Open Database

Information card for entry 7156007

Preview

Coordinates	7156007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H44 N O7.5 S2.5 Si
Calculated formula	C22 H44 N O7.5 S2.5 Si
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	10.1923 ± 0.0018 Å
b	18.865 ± 0.003 Å
c	31 ± 0.006 Å
α	90°
β	91.926 ± 0.006°
γ	90°
Cell volume	5957.2 ± 1.8 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1555
Residual factor for significantly intense reflections	0.1069
Weighted residual factors for significantly intense reflections	0.279
Weighted residual factors for all reflections included in the refinement	0.3146
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7156007.cif
203884	2017-12-02	cif/ Adding structures of 7156003, 7156004, 7156005, 7156006, 7156007 via cif-deposit CGI script.	7156007.cif