Crystallography Open Database

Information card for entry 7154244

Preview

Coordinates	7154244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 O3
Calculated formula	C15 H22 O3
Title of publication	In situ intramolecular catalytic 1,2-addition of allenoates to cyclic ketones towards polycyclic allenoates.
Authors of publication	Heinrich, Clément F; Miesch, Michel; Miesch, Laurence
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	7
Pages of publication	2153 - 2156
a	10.7927 ± 0.0007 Å
b	11.6842 ± 0.0008 Å
c	12.384 ± 0.001 Å
α	81.436 ± 0.005°
β	87.887 ± 0.005°
γ	69.366 ± 0.005°
Cell volume	1444.99 ± 0.19 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.151
Residual factor for significantly intense reflections	0.051
Weighted residual factors for all reflections	0.239
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections	4.197
Goodness-of-fit parameter for all reflections included in the refinement	1.161
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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