Information card for entry 2003881

Structure parameters

• Formula: C17 H20 N2 O2
• Calculated formula: C17 H20 N2 O2
• SMILES: [C@H]1(C=CCON2CCc3c4ccccc4n(c3[C@@H]12)C)CO.[C@@H]1(C=CCON2CCc3c4ccccc4n(c3[C@H]12)C)CO
• Title of publication: On the Structure of (13-Methyl-1,4,7,8,13,13b-hexahydro[1',2']oxazepino[2',3':1,2]pyrido[3,4-<i>b</i>]indol-1-yl)methanol
• Authors of publication: Marsh, R. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1957 - 1958
• a: 18.499 ± 0.004 Å
• b: 6.2149 ± 0.0009 Å
• c: 26.45 ± 0.01 Å
• α: 90°
• β: 103.16 ± 0.03°
• γ: 90°
• Cell volume: 2961.1 ± 1.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• 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