Crystallography Open Database

Information card for entry 2011220

2011219 << 2011220 >> 2011221

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Structure parameters

Formula	C16 H23 N O3
Calculated formula	C16 H23 N O3
SMILES	O1C(=O)[C@H](N=C2[C@]1([C@@H]1C[C@H](C2)C1(C)C)C)[C@H](C(=O)C)C
Title of publication	Two key chiral intermediates in a new 4-hydroxyisoleucine synthesis
Authors of publication	Kassem, Tarek; Rolland, Valérie; Martinez, Jean; Rolland, Marc
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	8
Pages of publication	1037 - 1039
a	8.261 ± 0.0003 Å
b	12.5168 ± 0.0005 Å
c	14.9291 ± 0.0003 Å
α	90 ± 0.001°
β	90 ± 0.001°
γ	90 ± 0.001°
Cell volume	1543.69 ± 0.09 Å³
Cell temperature	298 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.06
Goodness-of-fit parameter for all reflections included in the refinement	1.309
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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