Crystallography Open Database

Information card for entry 1504103

Preview

Coordinates	1504103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 N2
Calculated formula	C26 H20 N2
SMILES	n1(c2ccccc2c2ccccc12)C(=C(N)\c1ccccc1)\c1ccccc1
Title of publication	Attempted generation of the potentially aromatic 6,7-diphenyldibenzo[e,g][1,4]diazocine dianion leads with profound rearrangement to the isomeric n-(2-amino-1,2-diphenylethenyl)carbazole dianions.
Authors of publication	Eisch, John J.; Manchanayakage, Renuka N.; Rheingold, Arnold L.
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	18
Pages of publication	4060 - 4063
a	7.3565 ± 0.0006 Å
b	13.3596 ± 0.0012 Å
c	19.9232 ± 0.0018 Å
α	92.014 ± 0.006°
β	98.566 ± 0.006°
γ	99.128 ± 0.006°
Cell volume	1908.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0912
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	0.964
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
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.	1504103.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504103.cif
39370	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504103 via cif-deposit CGI script.	1504103.cif