Crystallography Open Database

Information card for entry 4026295

Preview

Coordinates	4026295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 O4
Calculated formula	C26 H20 O4
SMILES	Oc1c(cc(c2c3c(c4cc(C=O)c(O)cc4C)cccc3ccc2)c(c1)C)C=O
Title of publication	Synthesis, Conformational Stability, and Asymmetric Transformation of Atropisomeric 1,8-Bisphenolnaphthalenes
Authors of publication	Marwan W. Ghosn; Christian Wolf
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	3888 - 3897
a	11.7955 ± 0.0017 Å
b	11.7955 ± 0.0017 Å
c	28.477 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3962.1 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.0921
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4026295.html