Information card for entry 4504512

Structure parameters

• Formula: C39 H36 N4 O7
• Calculated formula: C39 H36 N4 O7
• Title of publication: Self-Assembly of Pentaphenol Adducts: Formation of 3D Network and Ladder-type Supramolecular Structures in the Solid State
• Authors of publication: Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 636
• a: 10.1552 ± 0.0006 Å
• b: 11.6299 ± 0.0007 Å
• c: 14.7513 ± 0.0008 Å
• α: 85.255 ± 0.001°
• β: 87.575 ± 0.001°
• γ: 78.655 ± 0.001°
• Cell volume: 1701.69 ± 0.17 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No