Information card for entry 2223458

Structure parameters

• Chemical name: <i>syn</i>,<i>syn</i>-15,17-Di-2- naphthylhexacyclo[10.2.1.1^3,10^.1^5,8^.0^2,11^.0^4,9^]heptadecane deuterochloroform monosolvate
• Formula: C38 H37 Cl3
• Calculated formula: C38 H37 Cl3
• SMILES: c1ccc2c(c1)cc(cc2)[C@@H]1[C@H]2CC[C@@H]1[C@H]1[C@@H]2[C@H]2C[C@@H]1[C@H]1[C@@H]2[C@H]2CC[C@@H]1[C@H]2c1ccc2c(c1)cccc2.ClC(Cl)Cl
• Title of publication: <i>syn</i>,<i>syn</i>-15,17-Di-2-naphthylhexacyclo[10.2.1.1^3,10^.1^5,8^.0^2,11^.0^4,9^]heptadecane deuterochloroform monosolvate
• Authors of publication: DeBlase, Andrew F.; Thong, Darence Ca; Nadeau, Jocelyn M.; Gebhart, David; Provo, Jonathan; Foxman, Bruce M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2427 - o2428
• a: 6.0833 ± 0.0004 Å
• b: 14.6343 ± 0.001 Å
• c: 16.2725 ± 0.0012 Å
• α: 93.641 ± 0.005°
• β: 94.437 ± 0.004°
• γ: 90.77 ± 0.004°
• Cell volume: 1441.15 ± 0.17 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.1623
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes