Information card for entry 2004969

Structure parameters

• Formula: C28 H21 O3 P S
• Calculated formula: C28 H21 O3 P S
• Title of publication: 8-(4-Methylphenoxy)-16<i>H</i>-dinaphtho[2,1-<i>d</i>:1',2'-<i>g</i>][1,3,2]dioxaphosphocine 8-sulfide
• Authors of publication: Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1556 - 1558
• a: 9.803 ± 0.002 Å
• b: 10.467 ± 0.003 Å
• c: 23.386 ± 0.004 Å
• α: 90°
• β: 95.69 ± 0.01°
• γ: 90°
• Cell volume: 2387.8 ± 0.9 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for significantly intense reflections: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No