Crystallography Open Database

Information card for entry 4125095

Preview

Coordinates	4125095.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2',4',5',7'-Tetrabromofluorescein N-ethoxy-2-methyl pyridinium salt
Chemical name	Eosine N-ethoxy-2-methyl pyridinium
Formula	C28 H19 Br4 N O6
Calculated formula	C28 H19 Br4 N O6
Title of publication	Metal-Free, Visible Light-Photocatalyzed Synthesis of Benzo[b]phosphole Oxides: Synthetic and Mechanistic Investigations.
Authors of publication	Quint, Valentin; Morlet-Savary, Fabrice; Lohier, Jean-François; Lalevée, Jacques; Gaumont, Annie-Claude; Lakhdar, Sami
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	23
Pages of publication	7436 - 7441
a	26.4265 ± 0.0007 Å
b	11.8821 ± 0.0003 Å
c	19.8835 ± 0.0005 Å
α	90°
β	115.18 ± 0.001°
γ	90°
Cell volume	5650.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0735
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1407
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
183573 (current)	2016-06-17	cif/ Updating files of 4125095 Original log message: Adding full bibliography for 4125095.cif.	4125095.cif
183227	2016-06-02	cif/ Adding structures of 4125095 via cif-deposit CGI script.	4125095.cif