Crystallography Open Database

Information card for entry 4025475

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Coordinates	4025475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H62 N2 O6
Calculated formula	C34 H62 N2 O6
Title of publication	Biomimetic Construction of the Hydroquinoline Ring System. Diastereodivergent Enantioselective Synthesis of 2,5-Disubstitutedcis-Decahydroquinolines
Authors of publication	Mercedes Amat; Robert Fabregat; Rosa Griera; Pedro Florindo; Elies Molins; Joan Bosch
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	3797 - 3805
a	10.158 ± 0.009 Å
b	16.049 ± 0.013 Å
c	11.66 ± 0.004 Å
α	90°
β	114.66 ± 0.04°
γ	90°
Cell volume	1728 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1621
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.2087
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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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