Crystallography Open Database

Information card for entry 4340607

Preview

Coordinates	4340607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 Br P
Calculated formula	C21 H20 Br P
SMILES	Brc1ccc2c3c(ccc(P(C(C)C)c4ccccc4)c13)CC2
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	11.194 ± 0.003 Å
b	14.043 ± 0.003 Å
c	12.014 ± 0.003 Å
α	90°
β	111.185 ± 0.008°
γ	90°
Cell volume	1760.9 ± 0.8 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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 significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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.	4340607.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.	4340607.cif
121011	2014-08-01	cif/ Adding structures of 4340598, 4340599, 4340600, 4340601, 4340602, 4340603, 4340604, 4340605, 4340606, 4340607 via cif-deposit CGI script.	4340607.cif