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Information card for entry 4507284
Preview
Coordinates | 4507284.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H32 N2 O2 |
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Calculated formula | C32 H32 N2 O2 |
SMILES | c1cnccc1c1ccncc1.c1(ccc(cc1)C12CC3CC(CC(C3)(C2)c2ccc(cc2)O)C1)O |
Title of publication | Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring |
Authors of publication | Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 2 |
Pages of publication | 752 |
a | 12.076 ± 0.003 Å |
b | 6.3815 ± 0.0016 Å |
c | 32.01 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2466.8 ± 1.1 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0372 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0726 |
Weighted residual factors for all reflections included in the refinement | 0.076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4507284.html
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Users of the data should acknowledge the original authors of the
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