Information card for entry 7231549

Structure parameters

• Chemical name: N12TM
• Formula: C16 H33 N O4
• Calculated formula: C16 H33 N O4
• Title of publication: Synthesis, supramolecular organization and thermotropic phase behaviour of N-acyltris(hydroxymethyl)aminomethane
• Authors of publication: Megarajan, Sengan; Subramaniyan, Siva Bala; Muthuswamy, Sureshan; Anthony, Savarimuthu Philip; Arunachalam, Jothi; Moon, Dohyun; Veerappan, Anbazhagan
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 57
• Pages of publication: 32823
• a: 23.076 ± 0.005 Å
• b: 8.676 ± 0.0017 Å
• c: 9.051 ± 0.0018 Å
• α: 90°
• β: 91.41 ± 0.03°
• γ: 90°
• Cell volume: 1811.5 ± 0.6 ų
• Cell temperature: 284 ± 2 K
• Ambient diffraction temperature: 284 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.2292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.61 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No