Information card for entry 4027253

Structure parameters

• Formula: C29 H31 N3 O6
• Calculated formula: C29 H31 N3 O6
• SMILES: O([C@H]1C(N=N#N)[C@@H](OCc2ccccc2)[C@@H]2OCO[C@H]1C2OCc1ccc(OC)cc1)Cc1ccccc1
• Title of publication: Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol
• Authors of publication: Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 5801 - 5807
• a: 33.13 ± 0.005 Å
• b: 10.4844 ± 0.0017 Å
• c: 16.523 ± 0.003 Å
• α: 90°
• β: 111.386 ± 0.003°
• γ: 90°
• Cell volume: 5344.1 ± 1.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No