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Information card for entry 4114391
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Coordinates | 4114391.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4-[5-(4-aminophenyl)pentyl]phenol |
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Formula | C17 H21 N O |
Calculated formula | C17 H21 N O |
SMILES | Oc1ccc(cc1)CCCCCc1ccc(cc1)N |
Title of publication | Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols |
Authors of publication | Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 14495 - 14509 |
a | 14.9554 ± 0.0009 Å |
b | 11.237 ± 0.0008 Å |
c | 8.6841 ± 0.0006 Å |
α | 90° |
β | 90.893 ± 0.003° |
γ | 90° |
Cell volume | 1459.22 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0418 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.0885 |
Weighted residual factors for all reflections included in the refinement | 0.0938 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 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/4114391.html
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