Crystallography Open Database

Information card for entry 4024203

Preview

Coordinates	4024203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 O
Calculated formula	C20 H18 O
SMILES	O(c1c(c2ccc(c3ccc(cc3)C)cc2)cccc1)C
Title of publication	A Practical and General Synthesis of Unsymmetrical Terphenyls
Authors of publication	Jose M. Antelo Miguez; Luis Angel Adrio; Antonio Sousa-Pedrares; Jose M. Vila; King Kuok (Mimi) Hii
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	7771 - 7774
a	7.601 ± 0.005 Å
b	7.577 ± 0.005 Å
c	26.341 ± 0.005 Å
α	90°
β	94.107 ± 0.005°
γ	90°
Cell volume	1513.2 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1175
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.2257
Weighted residual factors for all reflections included in the refinement	0.2499
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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