Information card for entry 2005246

Structure parameters

• Formula: C40 H30 P2
• Calculated formula: C40 H30 P2
• SMILES: P([C@]12[C@@H]3c4ccccc4[C@H]1[C@@]2(P(c1ccccc1)c1ccccc1)c1ccccc31)(c1ccccc1)c1ccccc1
• Title of publication: (+)-(4b<i>R</i>,8b<i>R</i>,8c<i>R</i>,8d<i>R</i>)-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b,8c-bis(diphenylphosphine)
• Authors of publication: Fu, T. Y.; Scheffer, J. R.; Trotter, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2095 - 2097
• a: 17.381 ± 0.004 Å
• b: 18.414 ± 0.003 Å
• c: 9.591 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3069.6 ± 1.1 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for all reflections: 0.035
• Goodness-of-fit parameter for significantly intense reflections: 1.9
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No