Information card for entry 2000145

Structure parameters

• Formula: C20 H22 Br2 N2 O4
• Calculated formula: C20 H22 Br2 N2 O4
• SMILES: COc1c(OC)cc2c(c1OC)c1cc(Br)c(c(c1[C@H](CC2)NC(=O)C)Br)N
• Title of publication: Structures of colchicine analogues. IV. An aminodibromoallocolchicine, C~20~H~22~Br~2~N~2~O~4~
• Authors of publication: Mackay, M. F.; Sengupta, S.; Lacey, E.; Burden, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 2615 - 2618
• a: 26.331 ± 0.002 Å
• b: 9.472 ± 0.001 Å
• c: 8.311 ± 0.001 Å
• α: 90°
• β: 92.5 ± 0.01°
• γ: 90°
• Cell volume: 2070.9 ± 0.4 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No