Crystallography Open Database

Information card for entry 1512030

1512029 << 1512030 >> 1512031

Preview

Coordinates	1512030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H19 N O Si
Calculated formula	C27 H19 N O Si
SMILES	n1cccc2ccc3cccc(c3c12)[Si]1(O)c2ccccc2C=Cc2ccccc12
Title of publication	Synthesis of Dibenzo[b,f]silepins with a Benzoquinolyl Ligand
Authors of publication	Tokoro, Yuichiro; Tanaka, Kazuo; Chujo, Yoshiki
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	10
Pages of publication	2366
a	7.8852 ± 0.0006 Å
b	14.9048 ± 0.0012 Å
c	17.1614 ± 0.0013 Å
α	90°
β	99.5 ± 0.002°
γ	90°
Cell volume	1989.3 ± 0.3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0906
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1562
Weighted residual factors for all reflections included in the refinement	0.2166
Goodness-of-fit parameter for all reflections included in the refinement	1.169
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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.	1512030.cif
87178	2013-07-14	cif/ Adding structures of 1512030 via cif-deposit CGI script.	1512030.cif