Crystallography Open Database

Information card for entry 4075531

Preview

Coordinates	4075531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28
Calculated formula	C22 H28
SMILES	C1(c2c(c(c(c(c2c2c(c(c(c(c12)C)C)C)C)C)C)C)C)C
Title of publication	Octa- and Nonamethylfluorene and an Electron-Rich Permethylfluorenyl Ruthenocene Derivative
Authors of publication	Bazinet, Patrick; Tupper, Karl A.; Tilley, T. Don
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	18
Pages of publication	4286
a	23.89 ± 0.02 Å
b	9.191 ± 0.009 Å
c	15.89 ± 0.014 Å
α	90°
β	101.06 ± 0.02°
γ	90°
Cell volume	3424 ± 5 Å³
Cell temperature	157 ± 2 K
Ambient diffraction temperature	157 ± 2 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1228
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.2175
Weighted residual factors for all reflections included in the refinement	0.2476
Goodness-of-fit parameter for all reflections included in the refinement	1.219
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
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4075531.cif
178644	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/55.	4075531.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075531.cif
49297	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075531 via cif-deposit CGI script.	4075531.cif