Information card for entry 2235581

Structure parameters

• Chemical name: (11<i>R</i>,12<i>S</i>)-16-Aminotetracyclo[6.6.2.0^2,7^.0^9,14^]hexadeca- 2(7),3,5,9(14),10,12-hexaen-15-ol
• Formula: C16 H15 N O
• Calculated formula: C16 H15 N O
• SMILES: O[C@H]1C2c3c(cccc3)C([C@H]1N)c1ccccc21
• Title of publication: (11<i>R</i>,12<i>S</i>)-16-Aminotetracyclo[6.6.2.0^2,7^.0^9,14^]hexadeca-2(7),3,5,9(14),10,12-hexaen-15-ol
• Authors of publication: Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2137
• a: 8.6224 ± 0.0002 Å
• b: 7.114 ± 0.0001 Å
• c: 10.021 ± 0.0002 Å
• α: 90°
• β: 106.707 ± 0.002°
• γ: 90°
• Cell volume: 588.74 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes