Information card for entry 2012898

Structure parameters

• Chemical name: 9a-(10-hydroxyphenanthren-9-yl)-11,12a-diphenyl- 9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-d]oxazole
• Formula: C43 H27 N O5
• Calculated formula: C43 H27 N O5
• SMILES: O1c2c3ccccc3c3ccccc3c2O[C@@]2(OC(=N[C@]12c1ccccc1)c1ccccc1)Oc1c2ccccc2c2ccccc2c1O.O1c2c3ccccc3c3ccccc3c2O[C@]2(OC(=N[C@@]12c1ccccc1)c1ccccc1)Oc1c2ccccc2c2ccccc2c1O
• Title of publication: 11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole and 9a-(10-hydroxyphenanthren-9-yl)-11,12a-diphenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole
• Authors of publication: Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o477 - o479
• a: 12.4812 ± 0.0003 Å
• b: 14.3317 ± 0.0001 Å
• c: 18.5727 ± 0.0003 Å
• α: 102.607 ± 0.001°
• β: 99.511 ± 0.001°
• γ: 94.529 ± 0.001°
• Cell volume: 3174.64 ± 0.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.207
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.748
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes