Information card for entry 4111876

Structure parameters

• Common name: Boc-[(R,R)-Ab5,6=c]6-OEt
• Chemical name: Ethyl 8-{{8-{{8-{{8-{{8-{[(1R,6R)-8-(tert-Butoxycarbonylamino) bicyclo[4.3.0]non-3-en-8-yl]carbonylamino}-(1R,6R)-bicyclo[4.3.0]non- 3-en-8-yl}carbonylamino}-(1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}- carbonylamino}-(1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}carbonylamino}- (1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}carbonylamino}- (1R,6R)-bicyclo[4.3.0]non-3-en-8-carboxylate
• Formula: C68 H95 N6 O9.5
• Calculated formula: C68 H95 N6 O9.5
• Title of publication: Side-Chain Chiral Centers of Amino Acid and Helical-Screw Handedness of Its Peptides
• Authors of publication: Masakazu Tanaka; Kosuke Anan; Yosuke Demizu; Masaaki Kurihara; Mitsunobu Doi; Hiroshi Suemune
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 11570 - 11571
• a: 15.765 ± 0.012 Å
• b: 16.535 ± 0.01 Å
• c: 26.9 ± 0.02 Å
• α: 74.22 ± 0.03°
• β: 82.32 ± 0.03°
• γ: 75.39 ± 0.03°
• Cell volume: 6514 ± 8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1037
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No