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Information card for entry 4501233
Preview
Coordinates | 4501233.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H44 N2 O3 |
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Calculated formula | C26 H44 N2 O3 |
SMILES | O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@@H](CCC(=O)N)C)[C@@]13C)CC[C@H]1[C@@]2(CC[C@@H](O)C1)C.N#CC |
Title of publication | Deoxycholamide Crystalline Frameworks as a Platform of Highly-Efficient Fluorescence Materials |
Authors of publication | Hisaki, Ichiro; Murai, Taketoshi; Yabuguchi, Hirohide; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 10 |
Pages of publication | 4652 |
a | 7.27171 ± 0.00013 Å |
b | 13.271 ± 0.0003 Å |
c | 25.7839 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2488.22 ± 0.09 Å3 |
Cell temperature | 213 K |
Ambient diffraction temperature | 213 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for all reflections included in the refinement | 0.1077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179543 (current) | 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 4/50/12. |
4501233.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501233.cif |
34822 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4501233 via cif-deposit CGI script. |
4501233.cif |
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Users of the data should acknowledge the original authors of the
structural data.