Methyl 2,3-amino-3-N,4-O-carbonyl-2,3-N-cyclo-2,3,6- trideoxy-α-L‐ allopyranoside

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Publisher: Acta Crystallographica
Journal: Section E
Year/Issue: 2006/07-00

Article (via DOI): 10.1107/S1600536806019507
Compound Class:organic
Date Recorded:2006-05-23

Contact Author: Dr. Michael J. Ferguson
e-mail: michael.ferguson@ualberta.ca

Data collection parameters

Chemical formula sumC8H11NO4
Chemical formula moietyC8H11NO4
Crystal systemOrthorhombic
Space group H-MP 21 21 21
Space group HallP 2ac 2ab
Data collection temperature193.0

Refinement results

R Factor (Obs)0.0323
R Factor (All)0.0336
Weighted R Factor (Obs)0.0881
Weighted R Factor (All)0.0896

Available Resources

Crystal Components

Moieties

Result files

Raw CML
Complete CML
CIF (cached / original)

Validation

CheckCIF

Images

Ellipsoid

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InChI:

InChI=1/C8H11NO4/c1-3-6-4-5(7(11-2)12-3)9(4)8(10)13-6/h3-7H,1-2H3/t3-,4+,5-,6-,7+,9-/m0/s1

SMILES:

[H]C([H])([H])O[C@]1(O[C@]([H])([C@]3(OC(=O)N2[C@]1([C@]23)[H]([H]))([H]))C([H])([H])[H])([H])