Crystallography Open Database

Information card for entry 7059848

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Coordinates	7059848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 O4
Calculated formula	C27 H20 O4
Title of publication	Spiro 1,3-indandiones: intramolecular photochemical reactions of carbonyl groups with carbon‒carbon double bonds
Authors of publication	Lokshin, Vladimir; Clavier, Hervé; Khodorkovsky, Vladimir
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	34
Pages of publication	14373 - 14378
a	13.5128 ± 0.0002 Å
b	5.73808 ± 0.00008 Å
c	26.7156 ± 0.0005 Å
α	90°
β	101.716 ± 0.0016°
γ	90°
Cell volume	2028.31 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0398
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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