Information card for entry 2100878

Structure parameters

• Formula: C33 H44 N4 O10
• Calculated formula: C33 N4 O10
• SMILES: N1C(=O)NC(=O)C2=Nc3cc(C)c(C)cc3N(C=12)C[C@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H](OC(=O)CCC)COC(=O)CCC
• Title of publication: Structures of riboflavin tetraacetate and tetrabutyrate: molecular packing mode of riboflavin tetracarboxylate and its extensive stacking and hydrogen-bonding characteristics
• Authors of publication: Ebitani, M.; In, Y.; Ishida, T.; Sakaguchi, K.-i.; Flippen-Anderson, J. L.; Karle, I. L.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 136 - 144
• a: 19.409 ± 0.002 Å
• b: 15.332 ± 0.002 Å
• c: 11.784 ± 0.001 Å
• α: 95.51 ± 0.01°
• β: 92.17 ± 0.01°
• γ: 83.59 ± 0.01°
• Cell volume: 3467.3 ± 0.7 ų
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No