Crystallography Open Database

Information card for entry 2203419

2203418 << 2203419 >> 2203420

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Structure parameters

Formula	C16 H31 N O6
Calculated formula	C16 H31 N O6
SMILES	O=C(OC(C)(C)C)[C@H](O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(C)C.O=C(OC(C)(C)C)[C@@H](O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(C)C
Title of publication	(2S<i>R</i>,3S<i>R</i>,4<i>RS</i>)-<i>tert</i>-Butyl 2,3-dihydroxy 4-(<i>tert</i>-butoxycarbonyl)aminohexanoate
Authors of publication	Dagoneau Christelle; Jean-Noël Denis; Christian Philouze; Marie-Thérèse Averbuch-Pouchot; Yannick Vallée
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	4
Pages of publication	o510 - o512
a	9.077 ± 0.004 Å
b	21.777 ± 0.005 Å
c	10.19 ± 0.01 Å
α	90°
β	107.02 ± 0.06°
γ	90°
Cell volume	1926 ± 2 Å³
Cell temperature	293.2 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0464
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for all reflections	0.0664
Weighted residual factors for all reflections included in the refinement	0.0664
Goodness-of-fit parameter for all reflections	1.686
Goodness-of-fit parameter for all reflections included in the refinement	1.686
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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