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Information card for entry 1507007
Preview
Coordinates | 1507007.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C89 H81 Br N8 O9 |
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Calculated formula | C87.885 H36.5 Br0.9 N8 O8.7575 |
Title of publication | Oligobisvelcraplex: self-assembled linear oligomer by solvophobic pi-pistacking interaction of bisvelcrands based on resorcin[4]arene. |
Authors of publication | Ihm, Hyejae; Ahn, Jae-Suk; Lah, Myoung Soo; Ko, Young Ho; Paek, Kyungsoo |
Journal of publication | Organic letters |
Year of publication | 2004 |
Journal volume | 6 |
Journal issue | 22 |
Pages of publication | 3893 - 3896 |
a | 36.82 ± 0.003 Å |
b | 29.693 ± 0.003 Å |
c | 38.2 ± 0.003 Å |
α | 90° |
β | 113.646 ± 0.002° |
γ | 90° |
Cell volume | 38257 ± 6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.4691 |
Residual factor for significantly intense reflections | 0.2233 |
Weighted residual factors for significantly intense reflections | 0.5004 |
Weighted residual factors for all reflections included in the refinement | 0.5895 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.296 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507007.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507007.cif |
51604 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1507007 via cif-deposit CGI script. |
1507007.cif |
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Users of the data should acknowledge the original authors of the
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