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Information card for entry 7107640
Preview
Coordinates | 7107640.cif |
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Original paper (by DOI) | HTML |
Formula | C47 H31 N3 O2 |
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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 Å3 |
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 |
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