Crystallography Open Database

Information card for entry 1520728

1520727 << 1520728 >> 1520729

Preview

Coordinates	1520728.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	QY614
Chemical name	Doyle-Quian QY614
Formula	C25 H34 N2 O9 Si
Calculated formula	C25 H34 N2 O9 Si
Title of publication	Lewis Acid/Rhodium-Catalyzed Formal [3 + 3]-Cycloaddition of Enoldiazoacetates with Donor-Acceptor Cyclopropanes.
Authors of publication	Cheng, Qing-Qing; Qian, Yu; Zavalij, Peter Y.; Doyle, Michael P.
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	3568 - 3571
a	10.3059 ± 0.0007 Å
b	20.6482 ± 0.0013 Å
c	25.5756 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	5442.4 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0648
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520728.cif
154785	2015-09-06	cif/ Updating files of 1520728 Original log message: Adding full bibliography for 1520728.cif.	1520728.cif
139893	2015-07-02	cif/ Adding structures of 1520728 via cif-deposit CGI script.	1520728.cif