Information card for entry 7018167

Structure parameters

• Formula: C31 H29 O P S
• Calculated formula: C31 H29 O P S
• SMILES: [P@@]1(=S)(C=C(c2c([C@H]1c1ccccc1)cccc2)c1ccc(cc1)OC)c1c(cc(cc1C)C)C.[P@]1(=S)(C=C(c2c([C@@H]1c1ccccc1)cccc2)c1ccc(cc1)OC)c1c(cc(cc1C)C)C
• Title of publication: Facile synthesis of luminescent benzo-1,2-dihydrophosphinines from a phosphaalkene.
• Authors of publication: Pavelka, Laura C.; Baines, Kim M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 11
• Pages of publication: 3294 - 3301
• a: 10.163 ± 0.002 Å
• b: 14.137 ± 0.003 Å
• c: 17.859 ± 0.004 Å
• α: 90°
• β: 102.19 ± 0.03°
• γ: 90°
• Cell volume: 2508 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No