Crystallography Open Database

Information card for entry 4340604

Preview

Coordinates	4340604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 P2 S2
Calculated formula	C30 H32 P2 S2
SMILES	S=P(c1ccc2c3c(ccc(P(=S)(c4ccccc4)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	8.95 ± 0.002 Å
b	11.086 ± 0.003 Å
c	14.038 ± 0.004 Å
α	90°
β	97.158 ± 0.007°
γ	90°
Cell volume	1382 ± 0.6 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	4340604.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.	4340604.cif
121011	2014-08-01	cif/ Adding structures of 4340598, 4340599, 4340600, 4340601, 4340602, 4340603, 4340604, 4340605, 4340606, 4340607 via cif-deposit CGI script.	4340604.cif