Crystallography Open Database

Information card for entry 4030206

Preview

Coordinates	4030206.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3a in manuscript
Formula	C46.25 H42 Cl0.28 O6.12
Calculated formula	C46.258 H42 Cl0.2705 O6.1225
Title of publication	Photolability of per-arylated butadienes: en route to dihydronaphthalenes.
Authors of publication	Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	23
Pages of publication	11787 - 11791
a	13.3327 ± 0.0013 Å
b	14.1261 ± 0.0013 Å
c	22.859 ± 0.002 Å
α	80.065 ± 0.003°
β	79.996 ± 0.003°
γ	65.861 ± 0.003°
Cell volume	3844.3 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1721
Residual factor for significantly intense reflections	0.0899
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
178481 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/02.	4030206.cif
131391	2015-02-07	cif/ Updating files of 4030204, 4030205, 4030206, 4030207, 4030208, 4030209 Original log message: Adding full bibliography for 4030204--4030209.cif.	4030206.cif
127708	2014-11-21	cif/ Adding structures of 4030204, 4030205, 4030206, 4030207, 4030208, 4030209 via cif-deposit CGI script.	4030206.cif