Information card for entry 7152233

Structure parameters

• Formula: C65.07 H48.13 Cl0.14 O5
• Calculated formula: C65 H48 Cl0.137 O5
• Title of publication: Highly emissive hand-shaped π-conjugated alkynylpyrenes: Synthesis, structures, and photophysical properties.
• Authors of publication: Hu, Jian-Yong; Ni, Xin-Long; Feng, Xing; Era, Masanao; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 2255 - 2262
• a: 10.0392 ± 0.0008 Å
• b: 15.7261 ± 0.0012 Å
• c: 16.0211 ± 0.0011 Å
• α: 81.667 ± 0.005°
• β: 82.511 ± 0.005°
• γ: 79.608 ± 0.006°
• Cell volume: 2447.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1125
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No