Information card for entry 7154015

Structure parameters

• Common name: RAUL006
• Formula: C18 H21 N O
• Calculated formula: C17.975 H20.975 N O
• Title of publication: Cycloreversion of β-lactams via photoinduced electron transfer.
• Authors of publication: Pérez-Ruiz, Raúl; Sáez, Jose A; Jiménez, M Consuelo; Miranda, Miguel A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 42
• Pages of publication: 8428 - 8432
• a: 9.5179 ± 0.0016 Å
• b: 16.883 ± 0.003 Å
• c: 9.7407 ± 0.0017 Å
• α: 90°
• β: 104.744 ± 0.01°
• γ: 90°
• Cell volume: 1513.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• 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
• Residual factor for all reflections: 0.2028
• Residual factor for significantly intense reflections: 0.156
• Weighted residual factors for significantly intense reflections: 0.3367
• Weighted residual factors for all reflections included in the refinement: 0.3598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No