Information card for entry 8101253

Structure parameters

• Common name: 3aS^*^.4S^*^7aR^*^-4-Ethoxy-3a,7a-dihydro-3,7-diphenyl-4H-1,5-dioxa-2,6-diaza- indene
• Formula: C19 H18 N2 O3
• Calculated formula: C19 H18 N2 O3
• SMILES: O1N=C([C@@H]2[C@H](ON=C([C@H]12)c1ccccc1)OCC)c1ccccc1.O1N=C([C@H]2[C@@H](ON=C([C@@H]12)c1ccccc1)OCC)c1ccccc1
• Title of publication: Crystal structure of 3a<i>S</i>*,4<i>S</i>*,7a<i>R</i>*-4-ethoxy-3a, 7a-dihydro-3,7-diphenyl-4<i>H</i>-1,5-dioxa-2,6-diaza-indene, C~19~H~18~N~2~O~3~
• Authors of publication: Schmidt, E.; Reißig, H.-U.; Rademacher, O.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 2
• Pages of publication: 283 - 284
• a: 15.957 ± 0.003 Å
• b: 7.958 ± 0.002 Å
• c: 26.041 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3307 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No