Crystallography Open Database

Information card for entry 4122002

4122001 << 4122002 >> 4122003

Preview

Coordinates	4122002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H140 O14 Rb2 Si2
Calculated formula	C92 H140 O14 Rb2 Si2
Title of publication	Experimental and Computational Studies of the Neutral and Reduced States of Indeno[1,2-b]fluorene.
Authors of publication	Rose, Bradley D.; Sumner, Natalie J.; Filatov, Alexander S.; Peters, Steven J.; Zakharov, Lev N.; Petrukhina, Marina A.; Haley, Michael M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	25
Pages of publication	9181 - 9189
a	15.372 ± 0.005 Å
b	15.458 ± 0.005 Å
c	20.271 ± 0.006 Å
α	84.859 ± 0.004°
β	78.483 ± 0.004°
γ	75.506 ± 0.004°
Cell volume	4566 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1989
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1704
Goodness-of-fit parameter for all reflections included in the refinement	0.853
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4122002.cif
119130	2014-07-05	cif/ Updating files of 4122001, 4122002 Original log message: Adding full bibliography for 4122001--4122002.cif.	4122002.cif
116447	2014-06-12	cif/ Adding structures of 4122002 via cif-deposit CGI script.	4122002.cif