Information card for entry 2202635

Structure parameters

• Chemical name: 3-Cyclopropyl-3-(cis-1-cyclopropyl-2-phenylcyclopropyl)-1-phenylcyclopropene
• Formula: C24 H24
• Calculated formula: C24 H24
• SMILES: C1(=C[C@@]1([C@@]1([C@H](C1)c1ccccc1)C1CC1)C1CC1)c1ccccc1.C1(=C[C@]1([C@]1([C@@H](C1)c1ccccc1)C1CC1)C1CC1)c1ccccc1
• Title of publication: 3-Cyclopropyl-3-(<i>cis</i>-1-cyclopropyl-2-phenylcyclopropyl)-1-phenylcyclopropene
• Authors of publication: Yufit, Dmitrii S.; Kozhushkov, Sergei I.; von Seebach, Malte; Howard, Judith A. K.; de Meijere, Armin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1167 - o1169
• a: 8.5291 ± 0.0002 Å
• b: 15.6301 ± 0.0004 Å
• c: 13.6004 ± 0.0004 Å
• α: 90°
• β: 97.562 ± 0.001°
• γ: 90°
• Cell volume: 1797.31 ± 0.08 ų
• Cell temperature: 120 ± 0.2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes