Information card for entry 2223576

Structure parameters

• Chemical name: 4-Phenyl-9,12,15-trioxa-1,5,6,18- tetraazatetracyclo[16.6.1.0^2,6^.0^19,24^]pentaconta-2,4,19,21,23- pentaen-25-one
• Formula: C24 H26 N4 O4
• Calculated formula: C24 H26 N4 O4
• SMILES: O1CCN2C(=O)N(c3c2cccc3)c2n(nc(c2)c2ccccc2)CCOCCOCC1
• Title of publication: 4-Phenyl-9,12,15-trioxa-1,5,6,18-tetraazatetracyclo[16.6.1.0^2,6^.0^19,24^]pentaconta-2,4,19,21,23-pentaen-25-one
• Authors of publication: Ghomsi, Joseph Nathan; Ahabchane, Noureddine Hamou; Bouhfid, Rachid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2493
• a: 13.348 ± 0.001 Å
• b: 15.785 ± 0.001 Å
• c: 11.007 ± 0.001 Å
• α: 90°
• β: 102.681 ± 0.001°
• γ: 90°
• Cell volume: 2262.6 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes