Crystallography Open Database

Information card for entry 2200023

2200022 << 2200023 >> 2200024

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2200023.hkl
Original IUCr paper	HTML

Structure parameters

Common name	oxazolidine disulfide
Chemical name	R,R-(+)-Bis[(3-benzyloxazolan-4-yl)methyl] disulfide
Formula	C22 H28 N2 O2 S2
Calculated formula	C22 H28 N2 O2 S2
SMILES	O1C[C@@H](N(C1)Cc1ccccc1)CSSC[C@H]1COCN1Cc1ccccc1
Title of publication	<i>R</i>,<i>R</i>-(+)-Bis[(3-benzyloxazolan-4-yl)methyl] disulfide
Authors of publication	Schulz Lang, Ernesto; Burrow, Robert A.; Braga, Antonio Luiz; Appelt, Helmoz Roseniaim; Schneider, Paulo Henrique; Silveira, Claudio Cruz; Wessjohann, Ludger A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	1
Pages of publication	o41 - o42
a	20.281 ± 0.003 Å
b	8.925 ± 0.002 Å
c	6.053 ± 0.001 Å
α	90°
β	93.112 ± 0.012°
γ	90°
Cell volume	1094 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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