Crystallography Open Database

Information card for entry 1515947

Preview

Coordinates	1515947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H37 N O5 Si
Calculated formula	C28 H37 N O5 Si
SMILES	[Si](OCC1=C2[C@@H]([C@@H]3C(=O)OC(=O)[C@@H]3C1)CC[C@H]1[C@@H]2C(=C)C[C@@H]1C(=O)n1cccc1)(C)(C(C)(C)C)C
Title of publication	An approach for rapid increase in molecular complexity: atom economic routes to fused polycyclic ring systems.
Authors of publication	Trost, Barry M.; Ehmke, Veronika
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	10
Pages of publication	2708 - 2711
a	15.368 ± 0.0003 Å
b	55.574 ± 0.0013 Å
c	6.2795 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5363.1 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0829
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1644
Weighted residual factors for all reflections included in the refinement	0.1765
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
217633 (current)	2019-08-21	cif/1: Fixing Z values and formulae	1515947.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515947.cif
115919	2014-06-05	cif/ Updating files of 1515947 Original log message: Adding full bibliography for 1515947.cif.	1515947.cif
112646	2014-05-03	cif/ Adding structures of 1515947 via cif-deposit CGI script.	1515947.cif