Information card for entry 1100372

Structure parameters

• Formula: C12 H17 N O5 S
• Calculated formula: C12 H17 N O5 S
• SMILES: S(=O)(=O)(ONC(=O)OC(C)(C)C)c1ccc(cc1)C
• Title of publication: [(N-Lithio-N-mesitylsulfonyloxy-tert-butylcarbamate)~2~·(thf)~3~]: Crystal Structure of a Nitrenoid
• Authors of publication: Boche, Gernot; Boie, Christiane; Bosold, Ferdinand; Harms, Klaus; Marsch, Michael
• Journal of publication: Angewandte Chemie, International Edition in English
• Year of publication: 1994
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 115 - 117
• a: 9.37 ± 0.0001 Å
• b: 20.478 ± 0.001 Å
• c: 8.103 ± 0.001 Å
• α: 90°
• β: 110.81 ± 0.01°
• γ: 90°
• Cell volume: 1453.37 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No