Information card for entry 1507225

Structure parameters

• Chemical name: 9-ethynylfluoren-9-ol
• Formula: C15 H10 O
• Calculated formula: C30 H20 O2
• Title of publication: Influence of Crystal Effects on Molecular Charge Densities in a Study of 9-Ethynyl-9-fluorenol
• Authors of publication: Overgaard, Jacob; Waller, Mark P.; Platts, James A.; Hibbs, David E.
• Journal of publication: The Journal of Physical Chemistry A
• Year of publication: 2003
• Journal volume: 107
• Journal issue: 50
• Pages of publication: 11201
• a: 28.0503 ± 0.001 Å
• b: 8.5232 ± 0.0003 Å
• c: 22.6161 ± 0.0008 Å
• α: 90°
• β: 124.742 ± 0.001°
• γ: 90°
• Cell volume: 4443.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.9
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No