Information card for entry 2001829

Structure parameters

• Chemical name: rac-1-methyl-3-nitro-{(1R,6S,8S)-6-phenyl-5,8-(tetramethylene)tricyclo [3.2.1.0^2.7^]oct-3-eno}[4,3-b]pyrrole
• Formula: C21 H22 N2 O2
• Calculated formula: C21 H22 N2 O2
• Title of publication: Structure of a tricyclo[3.2.1.0^2,7^]octene derivative: a double bridged central ring in an octahydrobenz[<i>g</i>]-3-nitroindole
• Authors of publication: Meetsma, A.; ten Have, R.; Leusink, F. R.; van Leusen, A. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 826 - 828
• a: 7.799 ± 0.001 Å
• b: 9.872 ± 0.001 Å
• c: 11.77 ± 0.001 Å
• α: 109.638 ± 0.004°
• β: 100.339 ± 0.006°
• γ: 97.756 ± 0.006°
• Cell volume: 820.77 ± 0.16 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for all reflections: 0.725
• Goodness-of-fit parameter for significantly intense reflections: 0.751
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No