Crystallography Open Database

Information card for entry 1507227

Preview

Coordinates	1507227.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	9-ethynylfluoren-9-ol
Formula	C15 H10 O
Calculated formula	C30 H20 O2
Title of publication	Influence of Crystal Effects on Molecular Charge Densities in a Study of 9-Ethynyl-9-fluorenol
Authors of publication	Overgaard, Jacob; Waller, Mark P.; Platts, James A.; Hibbs, David E.
Journal of publication	The Journal of Physical Chemistry A
Year of publication	2003
Journal volume	107
Journal issue	50
Pages of publication	11201
a	28.0503 ± 0.001 Å
b	8.5232 ± 0.0003 Å
c	22.6161 ± 0.0008 Å
α	90°
β	124.742 ± 0.001°
γ	90°
Cell volume	4443.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.07
Residual factor for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.025
Goodness-of-fit parameter for all reflections included in the refinement	2
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507227.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507227.cif
53757	2012-04-20	cif/ Adding structures of 1507225, 1507226, 1507227, 1507228 via cif-deposit CGI script.	1507227.cif