Information card for entry 7220027

Structure parameters

• Formula: C24 H33 N3 O9
• Calculated formula: C24 H33 N3 O9
• SMILES: O(C)C(=O)CCCNC(=O)c1cc(C(=O)NCCCC(=O)OC)cc(C(=O)NCCCC(=O)OC)c1
• 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: 17.7791 ± 0.0004 Å
• b: 6.9703 ± 0.0001 Å
• c: 20.0532 ± 0.0005 Å
• α: 90°
• β: 95.015 ± 0.002°
• γ: 90°
• Cell volume: 2475.59 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No