Information card for entry 7033980

Structure parameters

• Formula: C20 H30 N2 O6 P2
• Calculated formula: C20 H30 N2 O6 P2
• SMILES: C(c1cc(ncc1)c1cc(CP(=O)(OCC)OCC)ccn1)P(=O)(OCC)OCC
• Title of publication: Synthesis and characterization of an immobilizable photochemical molecular device for H2-generation.
• Authors of publication: Braumüller, Markus; Schulz, Martin; Sorsche, Dieter; Pfeffer, Michael; Schaub, Markus; Popp, Jürgen; Park, Byung-Wook; Hagfeldt, Anders; Dietzek, Benjamin; Rau, Sven
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5577 - 5586
• a: 7.3747 ± 0.0003 Å
• b: 8.5221 ± 0.0004 Å
• c: 9.7222 ± 0.0006 Å
• α: 97.051 ± 0.004°
• β: 97.098 ± 0.004°
• γ: 107.244 ± 0.004°
• Cell volume: 570.84 ± 0.05 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No