Information card for entry 2003841

Structure parameters

• Chemical name: 8-ethoxy-2-methylspiro(syn-5,6-benzo-2-azabicyclo[2,2,2] octane-3,3'-[3H]naphth[2,1,b][1,4]oxazine)
• Formula: C25 H24 N2 O2
• Calculated formula: C25 H24 N2 O2
• Title of publication: Photochromic 8-Ethoxy-2-methylspiro(<i>syn</i>-5,6-benzo-2-azabicyclo[2.2.2]oct-5-ene-3,3'-[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine)
• Authors of publication: Reboul, J.-P.; Samat, A.; Laréginie, P.; Lokshin, V.; Guglielmetti, R.; Pèpe, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1614 - 1617
• a: 7.957 ± 0.005 Å
• b: 11.92 ± 0.003 Å
• c: 21.533 ± 0.003 Å
• α: 90°
• β: 99.72 ± 0.01°
• γ: 90°
• Cell volume: 2013 ± 1.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.052
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for all reflections: 0.19
• Goodness-of-fit parameter for significantly intense reflections: 0.19
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No