Crystallography Open Database

Information card for entry 4340605

Preview

Coordinates	4340605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H34 P2 S2
Calculated formula	C27 H34 P2 S2
SMILES	S=P(c1ccc2c3c(ccc(P(=S)(C(C)C)c4ccccc4)c13)CC2)(C(C)C)C(C)C
Title of publication	Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.
Authors of publication	Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	16
Pages of publication	8795 - 8808
a	8.5216 ± 0.0016 Å
b	9.8317 ± 0.0018 Å
c	16.798 ± 0.004 Å
α	96.603 ± 0.007°
β	93.163 ± 0.007°
γ	113.597 ± 0.008°
Cell volume	1273.2 ± 0.5 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179509 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06.	4340605.cif
122902	2014-09-06	cif/ Updating files of 4340598, 4340599, 4340600, 4340601, 4340602, 4340603, 4340604, 4340605, 4340606, 4340607 Original log message: Adding full bibliography for 4340598--4340607.cif.	4340605.cif
121011	2014-08-01	cif/ Adding structures of 4340598, 4340599, 4340600, 4340601, 4340602, 4340603, 4340604, 4340605, 4340606, 4340607 via cif-deposit CGI script.	4340605.cif