Information card for entry 2101119

Structure parameters

• Formula: C23 H29 N5 O2
• Calculated formula: C24 H35 N5 O2
• Title of publication: Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists
• Authors of publication: Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 221 - 243
• a: 14.966 ± 0.002 Å
• b: 16.075 ± 0.002 Å
• c: 9.1608 ± 0.0009 Å
• α: 90°
• β: 99.158 ± 0.008°
• γ: 90°
• Cell volume: 2175.8 ± 0.5 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No