Crystallography Open Database

Information card for entry 4025873

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Coordinates	4025873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H30 O5
Calculated formula	C25 H30 O5
Title of publication	A Gallium-Catalyzed Cycloisomerization/Friedel-Crafts Tandem
Authors of publication	Hui-Jing Li; Régis Guillot; Vincent Gandon
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	8435 - 8449
a	13.908 ± 0.0011 Å
b	11.9265 ± 0.0009 Å
c	14.027 ± 0.0011 Å
α	90°
β	110.459 ± 0.002°
γ	90°
Cell volume	2179.9 ± 0.3 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.0664
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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