Crystallography Open Database

Information card for entry 4331143

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Structure parameters

Chemical name	4-Fluoren-9-ylidenemethyl-pyridine
Formula	C19 H13 N
Calculated formula	C19 H13 N
SMILES	n1ccc(cc1)C=C1c2c(cccc2)c2c1cccc2
Title of publication	Diimine Triscarbonyl Re(I) of Isomeric Pyridyl-fulvene Ligands: an Electrochemical, Spectroscopic, and Computational Investigation
Authors of publication	Daniel Chartrand; Carlos A. Castro Ruiz; Garry S. Hanan
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12738 - 12747
a	9.2782 ± 0.0004 Å
b	21.8542 ± 0.0009 Å
c	6.9306 ± 0.0003 Å
α	90°
β	104.675 ± 0.002°
γ	90°
Cell volume	1359.46 ± 0.1 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4331143.cif
201982	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4331143.cif
179414	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/11.	4331143.cif
80606	2013-04-08	cif/ Adding structures of 4331143 via cif-deposit CGI script.	4331143.cif