Crystallography Open Database

Information card for entry 2205209

2205208 << 2205209 >> 2205210

Preview

Coordinates	2205209.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(3R,5S)-1-Benzyl 2-tert-butyl 4-[N,N'-bis(tert-butyloxycarbonyl)hydrazino]-5-oxopyrrolidine-1,5-dicarboxylate
Formula	C27 H39 N3 O9
Calculated formula	C27 H39 N3 O9
SMILES	O(Cc1ccccc1)C(=O)N1C(=O)[C@H](N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C[C@H]1C(=O)OC(C)(C)C
Title of publication	(2<i>S</i>,4<i>R</i>)-1-Benzyl 2-<i>tert</i>-butyl 4-[<i>N</i>,<i>N</i>'-bis(<i>tert</i>-butyloxycarbonyl)hydrazino]-5-oxopyrrolidine-1,2-dicarboxylate
Authors of publication	Krzysztof Kaczmarek; Wojciech M. Wolf; Janusz Zabrocki
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	3
Pages of publication	o629 - o631
a	9.883 ± 0.002 Å
b	10.103 ± 0.002 Å
c	15.892 ± 0.002 Å
α	90°
β	106.59 ± 0.01°
γ	90°
Cell volume	1520.7 ± 0.5 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	0.1419
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1581
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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