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Information card for entry 7247743
Preview
Coordinates | 7247743.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | hydrazine bridged 3-pyrollyl BODIPY |
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Formula | C42 H32 B2 F4 N8 |
Calculated formula | C42 H32 B2 F4 N8 |
SMILES | F[B]1(F)[n]2cccc2=C(c2n1c(cc2)c1[nH]c(cc1)/C=N/N=C/c1[nH]c(cc1)c1n2c(cc1)C(=c1[n](ccc1)[B]2(F)F)c1ccc(cc1)C)c1ccc(cc1)C |
Title of publication | A white light emitting single halochromic hydrazine bridged bis(3-pyrrolyl BODIPY) fluorophore. |
Authors of publication | Behera, Kanhu Charan; Ravikanth, Mangalampalli |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 47 |
Pages of publication | 32584 - 32593 |
a | 11.505 ± 0.003 Å |
b | 37.012 ± 0.01 Å |
c | 9.556 ± 0.002 Å |
α | 90° |
β | 111.92 ± 0.005° |
γ | 90° |
Cell volume | 3775 ± 1.6 Å3 |
Cell temperature | 294 K |
Ambient diffraction temperature | 294 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1607 |
Residual factor for significantly intense reflections | 0.0974 |
Weighted residual factors for significantly intense reflections | 0.1954 |
Weighted residual factors for all reflections included in the refinement | 0.213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
288909 (current) | 2024-01-06 | cif/ Updating files of 7247743 Original log message: Adding full bibliography for 7247743.cif. |
7247743.cif |
287636 | 2023-11-16 | cif/ Adding structures of 7247743 via cif-deposit CGI script. |
7247743.cif |
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