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Information card for entry 4506483
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Coordinates | 4506483.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | Hexakis(4-fluorophenoxy)cyclotriphosphazene |
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Formula | C36 H24 F6 N3 O6 P3 |
Calculated formula | C36 H24 F6 N3 O6 P3 |
SMILES | P1(Oc2ccc(F)cc2)(=NP(Oc2ccc(F)cc2)(=NP(Oc2ccc(F)cc2)(=N1)Oc1ccc(F)cc1)Oc1ccc(F)cc1)Oc1ccc(F)cc1 |
Title of publication | A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene |
Authors of publication | Wahl, Helene; Haynes, Delia A.; le Roex, Tanya |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 8 |
Pages of publication | 4031 |
a | 20.323 ± 0.002 Å |
b | 8.0506 ± 0.0008 Å |
c | 21.694 ± 0.002 Å |
α | 90° |
β | 103.831 ± 0.001° |
γ | 90° |
Cell volume | 3446.5 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0459 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for significantly intense reflections | 0.092 |
Weighted residual factors for all reflections included in the refinement | 0.1063 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4506483.cif |
179600 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/64. |
4506483.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4506483.cif |
66193 | 2012-09-09 | cif/ Adding structures of 4506483, 4506484, 4506485, 4506486, 4506487, 4506488, 4506489 via cif-deposit CGI script. |
4506483.cif |
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Users of the data should acknowledge the original authors of the
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