Information card for entry 2007991

Structure parameters

• Common name: C-Trp
• Chemical name: Cytosynyl-tryptophan
• Formula: C36 H50 N10 O14
• Calculated formula: C36 H46 N10 O14
• SMILES: n1(c(=O)nc(N)cc1)CCC(=O)N[C@@H](Cc1c[nH+]c2c1cccc2)C(=O)[O-].O.O.O
• Title of publication: A Cytosine and Tryptophan Hybrid Dipeptide: Cytosinyl-<small>L</small>-tryptophan‒Water (2/6)
• Authors of publication: Mitsunobu Doi; Mariko Tarui; Mihoko Ogata; Akiko Asano; Toshimasa Ishida
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1941 - 1943
• a: 9.2032 ± 0.0008 Å
• b: 14.792 ± 0.004 Å
• c: 7.483 ± 0.002 Å
• α: 101.15 ± 0.02°
• β: 96.175 ± 0.014°
• γ: 88.701 ± 0.013°
• Cell volume: 993.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No