Crystallography Open Database

Information card for entry 4028024

Preview

Coordinates	4028024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 O4
Calculated formula	C38 H38 O4
SMILES	c12c3cccc1OCCCCCCOc1c(c(ccc1)OCCCCCCO3)c1c3c(c2c2c1cccc2)cccc3
Title of publication	Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material
Authors of publication	Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	2206 - 2212
a	17.131 ± 0.003 Å
b	18.112 ± 0.003 Å
c	19.066 ± 0.003 Å
α	90°
β	102.984 ± 0.002°
γ	90°
Cell volume	5764.5 ± 1.7 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0833
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
178459 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/80.	4028024.cif
94075	2014-01-21	cif/ Adding structures of 4028024 via cif-deposit CGI script.	4028024.cif