Information card for entry 7220028

Structure parameters

• Formula: C21 H27 N3 O9
• Calculated formula: C21 H27 N3 O9
• SMILES: O(C)C(=O)CCNC(=O)c1cc(C(=O)NCCC(=O)OC)cc(c1)C(=O)NCCC(=O)OC
• Title of publication: Influence of side-chains interactions on the self-assembly of discotic tricarboxyamides: A crystallographic insight
• Authors of publication: Paikar, Arpita; Pramanik, Apurba; HALDAR, DEBASISH
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 23.9467 ± 0.0016 Å
• b: 23.9467 ± 0.0016 Å
• c: 21.2999 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10577.9 ± 1.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.1671
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No