Crystallography Open Database

Information card for entry 4033050

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Structure parameters

Formula	C25 H28 O8
Calculated formula	C25 H28 O8
SMILES	O(c1c(c2cc(OC)cc(c3c(OC)cc(OC)cc3OC)c2O)c(OC)cc(OC)c1)C
Title of publication	Lewis Acid-Mediated Site-Selective Synthesis of Oxygenated Biaryls from Methoxyphenols and Electron-Rich Arenes.
Authors of publication	Sharma, Shivangi; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	18
Pages of publication	9367 - 9383
a	7.704 ± 0.005 Å
b	9.207 ± 0.005 Å
c	16.462 ± 0.005 Å
α	92.799 ± 0.005°
β	102.322 ± 0.005°
γ	90.028 ± 0.005°
Cell volume	1139.3 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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