Crystallography Open Database

Information card for entry 7133525

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Coordinates	7133525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 O3
Calculated formula	C19 H20 O3
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	5.6987 ± 0.0002 Å
b	7.5431 ± 0.0003 Å
c	35.7122 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1535.12 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
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	0.0473
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for all reflections	0.1151
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.0244
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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