Information card for entry 2004080

Structure parameters

• Common name: 1,2;3,4-Bis(8',11'-dioxa[4.3.3]propella(3',4'))benzene
• Chemical name: 1H,3H,4H,7H,8H,10H,11H,12H-3a,12a:7a,10a-Bis(methanoxymethano)phenanthro [2,3-c:6,7-c']difuran
• Formula: C22 H26 O4
• Calculated formula: C22 H26 O4
• Title of publication: 1,2;3,4-Bis{8',11'-dioxa[4.3.3]propella(3',4')}benzene: a Bis(propellene) from Prehnitene
• Authors of publication: Stadnicka, K.; Zeslawski, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2377 - 2381
• a: 12.38 ± 0.002 Å
• b: 11.194 ± 0.002 Å
• c: 26.892 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3726.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.0709
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.146
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No