Crystallography Open Database

Information card for entry 7116091

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Structure parameters

Chemical name	PhCzSi
Formula	C20 H17 N Si
Calculated formula	C20 H17 N Si
SMILES	c12ccccc1n1c3ccccc3c3cccc(c13)[Si]2(C)C
Title of publication	Efficient synthesis of pi-extended phenazasilines for optical and electronic applications
Authors of publication	Huanhuan Li; Yang Wang; Kai Yuan; Ye Tao; Runfeng Chen; Chao Zheng; Xinhui Zhou; Junfeng Li; Wei Huang
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	15760
a	9.4672 ± 0.0019 Å
b	17.673 ± 0.004 Å
c	10.494 ± 0.002 Å
α	90°
β	115.36 ± 0.002°
γ	90°
Cell volume	1586.6 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0523
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7116091.cif
180274	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60.	7116091.cif
129038	2014-12-24	cif/ Adding structures of 7116090, 7116091 via cif-deposit CGI script.	7116091.cif