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Information card for entry 4026857
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Coordinates | 4026857.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H56 O8 |
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Calculated formula | C50 H55 O8 |
Title of publication | Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps |
Authors of publication | Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 482 - 489 |
a | 11.1092 ± 0.0011 Å |
b | 12.5174 ± 0.0011 Å |
c | 16.9785 ± 0.0016 Å |
α | 74.609 ± 0.008° |
β | 73.57 ± 0.009° |
γ | 78.747 ± 0.008° |
Cell volume | 2164.9 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2228 |
Residual factor for significantly intense reflections | 0.113 |
Weighted residual factors for significantly intense reflections | 0.2631 |
Weighted residual factors for all reflections included in the refinement | 0.3049 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.891 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178447 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/68. |
4026857.cif |
80911 | 2013-04-11 | cif/ Adding structures of 4026857 via cif-deposit CGI script. |
4026857.cif |
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Users of the data should acknowledge the original authors of the
structural data.