Information card for entry 1506504

Structure parameters

• Chemical name: (3aR,4aS,5R,8aR,8bR)-2,2-dimethyl-8a(benzyloxyamino)-8-phenyl-7- (phenylsulfanyl)-3a,4a,5,6,8a,8b-hexahydrobenzo[4,5]furo[2,3-d][1,3]dioxol-5-ol
• Formula: C30 H31 N O5 S
• Calculated formula: C30 H31 N O5 S
• SMILES: [C@@H]1([C@H]2O[C@@H]3OC(O[C@@H]3[C@]2(C(=C(C1)Sc1ccccc1)c1ccccc1)NOCc1ccccc1)(C)C)O
• Title of publication: Tandem radical addition and cyclization of epsilon-substituted delta-yne ketimines.
• Authors of publication: Fernández, Marta; Alonso, Ricardo
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 11 - 14
• a: 10.905 ± 0.0006 Å
• b: 9.0569 ± 0.0007 Å
• c: 13.2693 ± 0.0007 Å
• α: 90°
• β: 92.194 ± 0.005°
• γ: 90°
• Cell volume: 1309.59 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No