Information card for entry 8100976

Structure parameters

• Formula: C15 H17 N3 O5
• Calculated formula: C15 H17 N3 O5
• SMILES: N(#N)=C1C(=O)NC2=CCCCCC[C@]34[C@]1([C@H]2O[C@H]3O4)C(=O)OC.N(#N)=C1C(=O)NC2=CCCCCC[C@@]34[C@@]1([C@@H]2O[C@@H]3O4)C(=O)OC
• Title of publication: Crystal structure of methyl(1R*,12R*,13S*,15R*)-9-aza-11-diazo-14, 16- dioxa-10-oxo-tetracyclo[10.4.0.0^1,15^.0^8,13^]hexadec-7-ene-12- carboxylate, (C~3~HNHCOCN~2~)(C~2~HO~2~)(C~6~H~11~)COOCH~3~
• Authors of publication: Peters, Eva-Maria; Peters, Karl; Ott, Frank; Tochtermann, Werner
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 307 - 308
• a: 22.658 ± 0.003 Å
• b: 10.764 ± 0.002 Å
• c: 15.261 ± 0.002 Å
• α: 90°
• β: 124.497 ± 0.008°
• γ: 90°
• Cell volume: 3067.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No