Crystallography Open Database

Information card for entry 7206960

7206959 << 7206960 >> 7206961

Preview

Coordinates	7206960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 N2
Calculated formula	C11 H10 N2
Title of publication	Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation
Authors of publication	Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	1
Pages of publication	178
a	7.3655 ± 0.0005 Å
b	11.7786 ± 0.0009 Å
c	5.5546 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	481.89 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0727
Goodness-of-fit parameter for all reflections included in the refinement	0.918
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
180400 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/69.	7206960.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206960.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206960.cif
32448	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 7206957, 7206958, 7206959, 7206960 via cif-deposit CGI script.	7206960.cif