Information card for entry 4504667

Structure parameters

• Formula: C22 H23 N4 O3 P
• Calculated formula: C22 H23 N4 O3 P
• SMILES: P(=O)(N(/N=C/c1c(O)cccc1)C)(N(/N=C/c1c(O)cccc1)C)c1ccccc1
• Title of publication: Influence of O−H···OP Hydrogen Bonding on the Supramolecular Architectures of Phosphorus-Based Hydrazones: Alternate Right- and Left-Handed Fused Helical Chains Based on O−H···OP Hydrogen Bonds in the Crystal Structure of C6H5P(O)[N(CH3)NCHC6H4-p-OH]2
• Authors of publication: Chandrasekhar, Vadapalli; Azhakar, Ramachandran; Bickley, Jamie F.; Steiner, Alexander
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 910
• a: 7.0504 ± 0.0008 Å
• b: 35.688 ± 0.005 Å
• c: 8.7657 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2205.6 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No