Information card for entry 1507076

Structure parameters

• Common name: Double-bent [5]phenylene
• Formula: C30 H14
• Calculated formula: C30 H14
• SMILES: c1c2c3ccc4c5ccccc5c4c3c2cc2c3ccc4c5ccccc5c4c3c12
• Title of publication: Syntheses of syn and anti doublebent [5]phenylene.
• Authors of publication: Bong, Dennis T.-Y.; Chan, Eugene W. L.; Diercks, Rainer; Dosa, Peter I.; Haley, Michael M.; Matzger, Adam J.; Miljanić, Ognjen S; Vollhardt, K Peter C; Bond, Andrew D.; Teat, Simon J.; Stanger, Amnon
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 13
• Pages of publication: 2249 - 2252
• a: 28.606 ± 0.011 Å
• b: 5.033 ± 0.002 Å
• c: 13.201 ± 0.005 Å
• α: 90°
• β: 111.107 ± 0.006°
• γ: 90°
• Cell volume: 1773.1 ± 1.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 2
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.69 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No