Information card for entry 2001873

Structure parameters

• Formula: C20 H19 N O6
• Calculated formula: C20 H19 N O6
• SMILES: CN1CCc2c([C@@H]1[C@H]1O[C@H](c3c1ccc1c3OCO1)O)cc1c(c2)OCO1.CN1CCc2c([C@H]1[C@@H]1O[C@@H](c3c1ccc1c3OCO1)O)cc1c(c2)OCO1
• Title of publication: Structure of (±)-egenine
• Authors of publication: Dokurno, P.; Gdaniec, M.; Kosturkiewicz, Z.; Matecka, D.; Rozwadowska, M. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 517 - 519
• a: 10.833 ± 0.002 Å
• b: 13.184 ± 0.003 Å
• c: 13.375 ± 0.003 Å
• α: 89.73 ± 0.03°
• β: 74.52 ± 0.03°
• γ: 71.95 ± 0.03°
• Cell volume: 1744 ± 0.8 ų
• Number of distinct elements: 4
• 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