Crystallography Open Database

Information card for entry 7216643

Preview

Coordinates	7216643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 N2
Calculated formula	C27 H26 N2
SMILES	n1c(cc(cc1c1ccc(cc1)C)c1ccc(cc1)N(C)C)c1ccc(cc1)C
Title of publication	Thin film microfluidic synthesis of fluorescent highly substituted pyridines
Authors of publication	Yasmin, Lyzu; Eggers, Paul K.; Skelton, Brian W.; Stubbs, Keith A.; Raston, Colin L.
Journal of publication	Green Chemistry
Year of publication	2014
Journal volume	16
Journal issue	7
Pages of publication	3450
a	7.4217 ± 0.0003 Å
b	23.8402 ± 0.0008 Å
c	11.7942 ± 0.0004 Å
α	90°
β	99.776 ± 0.004°
γ	90°
Cell volume	2056.5 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1015
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.1897
Weighted residual factors for all reflections included in the refinement	0.2007
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
180497 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/66.	7216643.cif
119492	2014-07-07	cif/ Updating files of 7216643 Original log message: Adding full bibliography for 7216643.cif.	7216643.cif
117686	2014-06-15	cif/ Adding structures of 7216643 via cif-deposit CGI script.	7216643.cif