Information card for entry 7151837

Structure parameters

• Formula: C36 H32 O P
• Calculated formula: C36 H32 O P
• Title of publication: The thermal C2-C6/[2 + 2] cyclisation of enyne-allenes: reversible diradical formation.
• Authors of publication: Cinar, Mehmet Emin; Vavilala, Chandrasekhar; Fan, Jian; Schmittel, Michael
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 3776 - 3779
• a: 9.0854 ± 0.0018 Å
• b: 13.43 ± 0.003 Å
• c: 13.56 ± 0.003 Å
• α: 96.34 ± 0.03°
• β: 107.73 ± 0.03°
• γ: 102.33 ± 0.03°
• Cell volume: 1512 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.175
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.723
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No