Crystallography Open Database

Information card for entry 7060024

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Structure parameters

Formula	C39 H40 O4
Calculated formula	C39 H40 O4
Title of publication	Birefringence and photoluminescence properties of diphenylacetylene-based liquid crystal dimers
Authors of publication	Arakawa, Yuki; Sasaki, Shunsuke; Igawa, Kazunobu; Tokita, Masatoshi; Konishi, Gen-ichi; Tsuji, Hideto
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	40
Pages of publication	17531 - 17541
a	72.7 ± 0.003 Å
b	7.1925 ± 0.0003 Å
c	6.0961 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3187.6 ± 0.2 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	3
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301852 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/06/ Each referenced PubChem compound corresponds to the full crystal structure.	7060024.cif
258916	2020-11-06	cif/ Updating files of 7060024 Original log message: Adding full bibliography for 7060024.cif.	7060024.cif
256915	2020-10-02	cif/ Adding structures of 7060024 via cif-deposit CGI script.	7060024.cif