Crystallography Open Database

Information card for entry 4023519

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Coordinates	4023519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 O5
Calculated formula	C26 H28 O5
Title of publication	Cobalt-Catalyzed Intermolecular [2 + 2 + 2] Cycloaddition for the Synthesis of 1,3-Cyclohexadienes
Authors of publication	Gerhard Hilt; Anna Paul; Klaus Harms
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	5187 - 5190
a	9.5186 ± 0.0011 Å
b	10.0427 ± 0.0011 Å
c	13.5127 ± 0.0015 Å
α	68.579 ± 0.012°
β	70.743 ± 0.012°
γ	78.726 ± 0.013°
Cell volume	1131.1 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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