Information card for entry 4500729

Structure parameters

• Chemical name: (m-hydroxybenzoic acid).bis(triphenylphosphine)
• Formula: C43 H36 O5 P2
• Calculated formula: C43 H36 O5 P2
• SMILES: c1(cc(ccc1)O)C(=O)O.c1(ccccc1)P(=O)(c1ccccc1)c1ccccc1.c1(ccccc1)P(=O)(c1ccccc1)c1ccccc1
• Title of publication: An Investigation of the Hydrogen-Bond Preferences and Co-crystallization Behavior of Three Didonor Compounds.
• Authors of publication: Lemmerer, Andreas; Adsmond, Daniel A.; Bernstein, Joel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 2011
• a: 11.6 ± 0.001 Å
• b: 13.569 ± 0.0012 Å
• c: 23.303 ± 0.002 Å
• α: 90°
• β: 90.567 ± 0.002°
• γ: 90°
• Cell volume: 3667.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1598
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No