Crystallography Open Database

Information card for entry 4121915

4121914 << 4121915 >> 4121916

Preview

Coordinates	4121915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H20.65 N O5.32
Calculated formula	C15 H15 N O5.332
Title of publication	Photoswitching using visible light: a new class of organic photochromic molecules.
Authors of publication	Helmy, Sameh; Leibfarth, Frank A.; Oh, Saemi; Poelma, Justin E.; Hawker, Craig J.; Read de Alaniz, Javier
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	23
Pages of publication	8169 - 8172
a	9.9202 ± 0.0005 Å
b	11.6625 ± 0.0006 Å
c	15.0194 ± 0.0008 Å
α	111.87 ± 0.003°
β	97.172 ± 0.003°
γ	103.982 ± 0.003°
Cell volume	1519.64 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0869
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1942
Weighted residual factors for all reflections included in the refinement	0.2084
Goodness-of-fit parameter for all reflections included in the refinement	1.157
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
179021 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/19.	4121915.cif
119155	2014-07-05	cif/ Updating files of 4121915, 4121916 Original log message: Adding full bibliography for 4121915--4121916.cif.	4121915.cif
114972	2014-05-31	cif/ Adding structures of 4121915 via cif-deposit CGI script.	4121915.cif