Information card for entry 2001316

Structure parameters

• Chemical name: 8-Pentacyclo[6.3.0^2,6^.0^3,10^.0^5,9^]undec-3-yl-exo-pentacyclo-[5.4.0.^2,6^.0 ^3,10^.0^5,9^]undecane.
• Formula: C22 H26
• Calculated formula: C22 H26
• SMILES: [C@@H]12[C@@H]3[C@]4(C[C@H]5[C@@H]3C[C@@H]1[C@H]5[C@H]4C2)[C@H]1[C@@H]2[C@H]3[C@@H]4[C@H]5C[C@@H]([C@H]24)[C@@H]1[C@H]5C3.[C@H]12[C@H]3[C@@]4(C[C@@H]5[C@H]3C[C@H]1[C@@H]5[C@@H]4C2)[C@@H]1[C@H]2[C@@H]3[C@H]4[C@@H]5C[C@H]([C@@H]24)[C@H]1[C@@H]5C3
• Title of publication: 8-Pentacyclo[6.3.0.0^2,6^.0^3,10^.0^5,9^]undec-3'-yl-<i>exo</i>-pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane
• Authors of publication: Watson, W. H.; Kashyap, R. P.; Marchand, A. P.; Deshpande, M. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1862 - 1865
• a: 6.357 ± 0.001 Å
• b: 11.429 ± 0.001 Å
• c: 11.706 ± 0.001 Å
• α: 61.87 ± 0.01°
• β: 85.52 ± 0.01°
• γ: 87.56 ± 0.01°
• Cell volume: 747.72 ± 0.16 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0651
• Goodness-of-fit parameter for significantly intense reflections: 1.371
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No