Information card for entry 2101815

Structure parameters

• Formula: C44 H38 O4 P2
• Calculated formula: C44 H38 O4 P2
• SMILES: P(=O)(C1=C(P(=O)(c2ccccc2)c2ccccc2)C2c3ccccc3C1c1ccccc21)(c1ccccc1)c1ccccc1.O=C(OCC)C
• Title of publication: Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylphosphine Oxide)
• Authors of publication: Fu, T. Y.; Liu, Z.; Olovsson, G.; Scheffer, J. R.; Trotter, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 293 - 299
• a: 18.223 ± 0.002 Å
• b: 9.435 ± 0.003 Å
• c: 21.946 ± 0.002 Å
• α: 90°
• β: 103.43 ± 0.007°
• γ: 90°
• Cell volume: 3670.1 ± 1.3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294.2 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: 0.12
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 2.98
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes