Crystallography Open Database

Information card for entry 1512031

1512030 << 1512031 >> 1512032

Preview

Coordinates	1512031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H18 F N Si
Calculated formula	C27 H18 F N Si
SMILES	n1cccc2ccc3cccc(c3c12)[Si]1(F)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	9.4606 ± 0.0007 Å
b	11.498 ± 0.0006 Å
c	9.8624 ± 0.0005 Å
α	90°
β	109.521 ± 0.003°
γ	90°
Cell volume	1011.15 ± 0.11 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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.	1512031.cif
87179	2013-07-14	cif/ Adding structures of 1512031 via cif-deposit CGI script.	1512031.cif