Crystallography Open Database

Information card for entry 7235589

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Coordinates	7235589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H27 N O6
Calculated formula	C16 H27 N O6
Title of publication	Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin
Authors of publication	Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	31
Pages of publication	16233
a	8.9582 ± 0.0001 Å
b	10.6774 ± 0.0001 Å
c	9.5609 ± 0.0001 Å
α	90°
β	112.302 ± 0.0015°
γ	90°
Cell volume	846.097 ± 0.018 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.024
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for all reflections	0.061
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	1.0058
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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