Crystallography Open Database

Information card for entry 1548420

Preview

Coordinates	1548420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H37 Br2 N O Si
Calculated formula	C26 H37 Br2 N O Si
SMILES	BrC1=C(N2CCCC2)C(Cc2ccccc2)(C\1=C(Br)\[Si](C(C)C)(C(C)C)C(C)C)C=O
Title of publication	Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions
Authors of publication	Xijian Li; Siyu Peng; Li Li; Yong Huang
Journal of publication	Nature Communications
Year of publication	2015
Journal volume	6
Pages of publication	6913
a	8.5127 ± 0.0002 Å
b	9.9548 ± 0.0002 Å
c	16.5298 ± 0.0012 Å
α	85.838 ± 0.006°
β	75.41 ± 0.005°
γ	84.304 ± 0.006°
Cell volume	1347.26 ± 0.11 Å³
Cell temperature	566 ± 2 K
Ambient diffraction temperature	566 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1961
Weighted residual factors for all reflections included in the refinement	0.2677
Goodness-of-fit parameter for all reflections included in the refinement	1.153
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1548420.html