Crystallography Open Database

Information card for entry 7133530

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Coordinates	7133530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 O2
Calculated formula	C24 H22 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	9.3701 ± 0.0002 Å
b	40.8864 ± 0.0008 Å
c	14.5271 ± 0.0003 Å
α	90°
β	94.782 ± 0.0019°
γ	90°
Cell volume	5546.1 ± 0.2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for all reflections	0.1275
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	0.9945
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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