Crystallography Open Database

Information card for entry 7112925

Preview

Structure parameters

Formula	C38 H32 N2 O4
Calculated formula	C38 H32 N2 O4
SMILES	O1c2c(N=Nc3c(OCCCOc4c(c5c(OCCC1)ccc1ccccc51)c1ccccc1cc4)cccc3)cccc2
Title of publication	Non-destructive erasable molecular switches and memory using light-driven twisting motions.
Authors of publication	Kawamoto, Masuki; Shiga, Natsuki; Takaishi, Kazuto; Yamashita, Takashi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	44
Pages of publication	8344 - 8346
a	7.7184 ± 0.0007 Å
b	13.2036 ± 0.0013 Å
c	28.544 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2908.9 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.157
Goodness-of-fit parameter for all reflections included in the refinement	1.166
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7112925.cif
180243	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29.	7112925.cif
112166	2014-04-30	cif/ Adding structures of 7112925, 7112926 via cif-deposit CGI script.	7112925.cif