Information card for entry 2208981

Structure parameters

• Chemical name: Methyl 3-[4,6-bis(diphenylphosphino)phenoxazin-10-yl]propionate
• Formula: C40 H33 N O3 P2
• Calculated formula: C40 H33 N O3 P2
• SMILES: COC(CCN1c2cccc(c2Oc2c1cccc2P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)=O
• Title of publication: Methyl 3-[4,6-bis(diphenylphosphino)phenoxazin-10-yl]propionate
• Authors of publication: Ricken, Stefan; Osinski, Piotr W.; Schürmann, Markus; Preut, Hans; Eilbracht, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1807 - o1808
• a: 10.431 ± 0.002 Å
• b: 11.354 ± 0.002 Å
• c: 15.337 ± 0.003 Å
• α: 68.961 ± 0.006°
• β: 84.619 ± 0.01°
• γ: 80.182 ± 0.009°
• Cell volume: 1669.5 ± 0.5 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1565
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes