Information card for entry 7152423

Structure parameters

• Chemical name: Dipolar cycloaddition reactions of 1-alkyl-1,2-diphospholes
• Formula: C37 H32 P2
• Calculated formula: C37 H32 P2
• SMILES: P12P(C(=C(C2(C1(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C(C)C
• Title of publication: Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.
• Authors of publication: Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 27
• Pages of publication: 5298 - 5306
• a: 10.185 ± 0.002 Å
• b: 10.3 ± 0.002 Å
• c: 15.865 ± 0.004 Å
• α: 72.942 ± 0.002°
• β: 82.792 ± 0.002°
• γ: 67.62 ± 0.002°
• Cell volume: 1471.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0598
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No