Crystallography Open Database

Information card for entry 4026789

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Coordinates	4026789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 N2 O3
Calculated formula	C24 H32 N2 O3
Title of publication	Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives
Authors of publication	Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	10020 - 10030
a	11.3087 ± 0.0005 Å
b	8.2975 ± 0.0003 Å
c	11.8172 ± 0.0005 Å
α	90°
β	102.904 ± 0.002°
γ	90°
Cell volume	1080.85 ± 0.08 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 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	0.0423
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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