Crystallography Open Database

Information card for entry 7133529

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Coordinates	7133529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 O2
Calculated formula	C23 H24 O2
Title of publication	HFIP promoted carbo-lactonisation as a new route to functionalised lactones.
Authors of publication	Aynetdinova, Daniya; Jaschinski, Megan; Jenkins, Timothy C.; Donohoe, Timothy J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	73
Pages of publication	9997 - 10000
a	6.1184 ± 0.0001 Å
b	33.9883 ± 0.0005 Å
c	8.7255 ± 0.0001 Å
α	90°
β	90.5312 ± 0.0015°
γ	90°
Cell volume	1814.42 ± 0.04 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for all reflections	0.182
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.182
Goodness-of-fit parameter for all reflections included in the refinement	1.0632
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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