Information card for entry 2208261

Structure parameters

• Common name: 2-Phenyl-1,11a,3,4-dicyclohexanotetrahydropyrido[1,2b]-benzoxazine
• Chemical name: 11-Phenyl-7,8,9,10,10a,11,12,13,14,15-decaydro-5H-3,1-benzoxazino[2,1-e]acridine
• Formula: C26 H29 N O
• Calculated formula: C26 H29 N O
• SMILES: O1Cc2ccccc2N2C3=C(CCCC3)[C@@H](c3ccccc3)[C@@H]3CCCC[C@]123.O1Cc2ccccc2N2C3=C(CCCC3)[C@H](c3ccccc3)[C@H]3CCCC[C@@]123
• Title of publication: 11-Phenyl-7,8,9,10,10a,11,12,13,14,15-decahydro-5<i>H</i>-3,1-benzoxazino[2,1-<i>e</i>]acridine
• Authors of publication: Kaminskiia, Vladimir A.; Slabkoa, Oleg Yu.; Kachanova, Andrey V.; Gerasimenko, Andrey V.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1110 - o1111
• a: 10.653 ± 0.001 Å
• b: 11.427 ± 0.001 Å
• c: 17.337 ± 0.002 Å
• α: 91.124 ± 0.002°
• β: 100.81 ± 0.002°
• γ: 100.191 ± 0.002°
• Cell volume: 2037.3 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes