Information card for entry 2103407

Structure parameters

• Formula: ?
• Calculated formula: C40 H48 N8
• Title of publication: The use of restraints in Rietveld refinement of molecular compounds; a case study using the crystal structure determination of tryptamine free base
• Authors of publication: Nowell, Harriott; Attfield, J. Paul; Cole, Jason C.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: 835 - 840
• a: 12.28593 ± 0.00006 Å
• b: 8.53351 ± 0.00004 Å
• c: 8.49385 ± 0.00004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 890.513 ± 0.007 ų
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No