Information card for entry 7220414

Structure parameters

• Formula: C29 H24 N2 O5
• Calculated formula: C29 H24 N2 O5
• SMILES: O(C(=O)c1c2c3n(c4c(c5c3c(=CC2(C)C)n(c2ccc(cc2)C)c5=O)cccc4)c1C(=O)OC)C
• Title of publication: Single step incorporation of carboxylic acid groups in the lower rim of calix[4]arenes: a recyclable catalyst towards assembly of diverse five ring fused acridines
• Authors of publication: Sarkar, Piyali; Mukhopadhyay, Chhanda
• Journal of publication: Green Chem.
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 3452
• a: 9.441 ± 0.005 Å
• b: 10.287 ± 0.005 Å
• c: 13.246 ± 0.005 Å
• α: 100.627 ± 0.005°
• β: 94.498 ± 0.005°
• γ: 108.144 ± 0.005°
• Cell volume: 1188.7 ± 1 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: 0.0525
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No