Information card for entry 2000202

Structure parameters

• Formula: C19 H21 N O3 S
• Calculated formula: C19 H22 N2 O2 S
• Title of publication: Structures of 1-(3,3-dimethylamino)propyl naphtho[2,1-<i>b</i>]thiophene-4-carboxylate and <i>N</i>-(3,3-dimethylamino)propyl-8-methoxynaphtho[2,1-<i>b</i>]thiophene-4-carboxamide, intercalators into double-helical DNA
• Authors of publication: McKenna, R.; Neidle, S.; Wilson, W. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 2511 - 2513
• a: 9.873 ± 0.002 Å
• b: 13.163 ± 0.003 Å
• c: 14.065 ± 0.003 Å
• α: 101.33 ± 0.03°
• β: 94.3 ± 0.03°
• γ: 91.35 ± 0.03°
• Cell volume: 1785.8 ± 0.7 ų
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No