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Information card for entry 4027122
Preview
Coordinates | 4027122.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H24 O5 |
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Calculated formula | C35 H24 O5 |
SMILES | C12(c3cc4ccc(O)cc4cc3Oc3cc4cc(O)ccc4cc13)c1ccccc1C(=O)O2.Cc1ccccc1 |
Title of publication | Exhaustive Syntheses of Naphthofluoresceins and Their Functions |
Authors of publication | Eriko Azuma; Naoko Nakamura; Kouji Kuramochi; Takahiro Sasamori; Norihiro Tokitoh; Ikuko Sagami; Kazunori Tsubaki |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 3492 - 3500 |
a | 14.6671 ± 0.0002 Å |
b | 17.229 ± 0.0002 Å |
c | 20.9288 ± 0.0003 Å |
α | 90° |
β | 108.669 ± 0.0006° |
γ | 90° |
Cell volume | 5010.41 ± 0.12 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0568 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.1046 |
Weighted residual factors for all reflections included in the refinement | 0.1143 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4027122.html
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