Information card for entry 2012824

Structure parameters

• Chemical name: (E)-3-{[(diphenyloxyphosphoryl)methylhydrazono]methyl}-4H-1-benzopyran-4-one
• Formula: C23 H19 N2 O5 P
• Calculated formula: C23 H19 N2 O5 P
• SMILES: P(=O)(N(C)/N=C/c1coc2ccccc2c1=O)(Oc1ccccc1)Oc1ccccc1
• Title of publication: A benzopyran derivative substituted at position 3
• Authors of publication: Rybarczyk-Pirek, Agnieszka J.; Małecka, Magdalena; Grabowski, Sławomir J.; Nawrot-Modranka, Jolanta
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o405 - o406
• a: 8.312 ± 0.002 Å
• b: 10.611 ± 0.001 Å
• c: 23.595 ± 0.002 Å
• α: 90°
• β: 90.76 ± 0.01°
• γ: 90°
• Cell volume: 2080.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.059
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No