Information card for entry 2217928

Structure parameters

• Common name: <i>ortho</i>-Phthalaldehyde-trihydroxymethyl aminomethane
• Chemical name: 1-hydroxymethyl-3,12-dioxa-14-azatetracyclo[9.2.1.0^4,14^.0^5,10^]tetradecane
• Formula: C12 H13 N O3
• Calculated formula: C12 H13 N O3
• Title of publication: 1-Hydroxymethyl-3,12-dioxa-14-azatetracyclo[9.2.1.0^4,14^.0^5,10^]tetradecane
• Authors of publication: Tai, Xi-Shi; Feng, Yi-Min; Kong, Fan-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o757
• a: 6.5045 ± 0.0009 Å
• b: 7.1799 ± 0.001 Å
• c: 22.394 ± 0.002 Å
• α: 90°
• β: 94.516 ± 0.002°
• γ: 90°
• Cell volume: 1042.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1339
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2625
• Weighted residual factors for all reflections included in the refinement: 0.287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes