Information card for entry 2000367

Structure parameters

• Formula: C12 H13 N O
• Calculated formula: C12 H13 N O
• SMILES: O=C1N[C@@H]2[C@H](C1)[C@H](c1ccccc21)C.O=C1N[C@H]2[C@@H](C1)[C@@H](c1ccccc21)C
• Title of publication: Structures of three tricyclic γ-lactams
• Authors of publication: Eggleston, D. S.; Baures, P. W.; Grabowska, U.; Marson, C. M.; Walsgrove, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 2177 - 2181
• a: 14.589 ± 0.002 Å
• b: 8.33 ± 0.003 Å
• c: 8.186 ± 0.004 Å
• α: 90°
• β: 103.17 ± 0.02°
• γ: 90°
• Cell volume: 968.6 ± 0.6 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No