Information card for entry 4509745

Structure parameters

• Formula: C76 H69 N4 O17
• Calculated formula: C76 H66 N4 O17
• Title of publication: Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials
• Authors of publication: Santra, Ramkinkar; Biradha, Kumar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 4969
• a: 14.1531 ± 0.0015 Å
• b: 16.3725 ± 0.0017 Å
• c: 17.312 ± 0.003 Å
• α: 110.186 ± 0.004°
• β: 105.113 ± 0.004°
• γ: 106.318 ± 0.003°
• Cell volume: 3316.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1361
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No