Information card for entry 1515520

Structure parameters

• Chemical name: syn-5,5'-(1,2-ethenediylidene)bis-5H-dibenzo[a,d]cycloheptene
• Formula: C32 H20
• Calculated formula: C32 H20
• SMILES: c1ccc2c(c1)C(=C=C=C1c3ccccc3C=Cc3c1cccc3)c1ccccc1C=C2
• Title of publication: Vapochromic and semiconducting solids of a bifunctional hydrocarbon
• Authors of publication: Xia, Hai; Liu, Danqing; Song, Kesheng; Miao, Qian
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 2402
• a: 8.0144 ± 0.0005 Å
• b: 20.9765 ± 0.0011 Å
• c: 12.7099 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2136.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No