Crystallography Open Database

Information card for entry 4029999

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Coordinates	4029999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H32 O5
Calculated formula	C21 H32 O5
Title of publication	Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.
Authors of publication	Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	20
Pages of publication	9531 - 9545
a	25.5016 ± 0.0005 Å
b	25.5016 ± 0.0005 Å
c	5.8826 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	3313.1 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1421
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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