Information card for entry 1550205

Structure parameters

• Formula: C22 H38 N4 O2
• Calculated formula: C22 H38 N4 O2
• SMILES: O=C(NC(c1cc(ccc1)C(NC(=O)NCCCC)(C)C)(C)C)NCCCC
• Title of publication: Investigating the effect of supramolecular gel phase crystallization on gel nucleation.
• Authors of publication: Dawn, Arnab; Mirzamani, Marzieh; Jones, Christopher D.; Yufit, Dmitry S.; Qian, Shuo; Steed, Jonathan W.; Kumari, Harshita
• Journal of publication: Soft matter
• Year of publication: 2018
• Journal volume: 14
• Journal issue: 46
• Pages of publication: 9489 - 9497
• a: 8.9115 ± 0.0002 Å
• b: 16.2345 ± 0.0003 Å
• c: 32.4328 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4692.17 ± 0.17 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No