Crystallography Open Database

Information card for entry 7126767

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Coordinates	7126767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 Cl O2
Calculated formula	C21 H17 Cl O2
Title of publication	Organocatalytic asymmetric synthesis of β,β-diaryl ketones via one-pot tandem dehydration/1,6-addition/decarboxylation transformation of β-keto acids and 4-hydroxybenzyl alcohols.
Authors of publication	Niu, Jia-Pan; Nie, Jing; Li, Shen; Ma, Jun-An
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	61
Pages of publication	8687 - 8690
a	5.339 ± 0.004 Å
b	15.845 ± 0.01 Å
c	23.929 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	2024 ± 2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1358
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	0.942
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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