Crystallography Open Database

Information card for entry 7246561

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Coordinates	7246561.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	SNAN-966
Formula	C22 H18 O3
Calculated formula	C22 H18 O3
SMILES	O=C(O)C(c1ccccc1)(CC(=O)c1ccccc1)c1ccccc1
Title of publication	Visible-light-mediated β-acylative divergent alkene difunctionalization with Katritzky salt/CO2
Authors of publication	Nandi, Shantanu; Das, Pritha; Das, Subhodeep; Mondal, Shuvam; Jana, Ranjan
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	9
Pages of publication	3633 - 3643
a	8.998 ± 0.0002 Å
b	11.5521 ± 0.0002 Å
c	18.5351 ± 0.0004 Å
α	79.764 ± 0.001°
β	84.293 ± 0.001°
γ	67.467 ± 0.001°
Cell volume	1750.2 ± 0.06 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0788
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.1871
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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