Information card for entry 2229164

Structure parameters

• Chemical name: <i>rac</i>-(<i>rel</i>-1<i>R</i>,2<i>R</i>,4<i>S</i>)- Spiro[bicyclo[2.2.1]heptane-2,3'-indol]-2'-amine
• Formula: C14 H16 N2
• Calculated formula: C14 H16 N2
• SMILES: C1(=Nc2c([C@]31[C@@H]1CC[C@H](C3)C1)cccc2)N.C1(=Nc2c([C@@]31[C@H]1CC[C@@H](C3)C1)cccc2)N
• Title of publication: <i>rac</i>-(<i>rel</i>-1<i>R</i>,2<i>R</i>,4<i>S</i>)-Spiro[bicyclo[2.2.1]heptane-2,3'-indol]-2'-amine
• Authors of publication: Lemmerer, Andreas; Michael, Joseph P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o394
• a: 19.2145 ± 0.0014 Å
• b: 11.3371 ± 0.0008 Å
• c: 10.3399 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2252.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes