Information card for entry 7107640

Structure parameters

• Formula: C47 H31 N3 O2
• Calculated formula: C47 H29 N3 O
• SMILES: c1(ccccc1)N(c1ccccc1)c1ccc2c(c1)C1(c3c(C=C2)ccc(c3)c2ccc(C=C(C#N)C#N)o2)c2ccccc2c2ccccc12
• Title of publication: Spirally configured cis-stilbene/fluorene hybrids as bipolar, organic sensitizers for solar cell applications
• Authors of publication: Wei-Shan Chao; Ken-Hsien Liao; Chien-Tien Chen; Wei-Kai Huang; Chi-Ming Lan; Eric Wei-Guang Diau
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4884
• a: 12.7199 ± 0.0003 Å
• b: 18.3611 ± 0.0004 Å
• c: 19.7203 ± 0.0004 Å
• α: 63.081 ± 0.001°
• β: 84.443 ± 0.001°
• γ: 74.863 ± 0.001°
• Cell volume: 3962.96 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1564
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No