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Information card for entry 4026386
Preview
Coordinates | 4026386.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26.5 H36.5 N O5 |
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Calculated formula | C26.5 H36.5 N O5 |
SMILES | O1O[C@@]2([C@]1(N(CC2(C)C)C(=O)OC(C)(C)C)c1cc(O)cc2ccccc12)C(C)(C)C.CCCCCC.O1O[C@]2([C@@]1(N(CC2(C)C)C(=O)OC(C)(C)C)c1cc(O)cc2ccccc12)C(C)(C)C |
Title of publication | Crucial Dependence of Chemiluminescence Efficiency on the Syn/AntiConformation for Intramolecular Charge-Transfer-Induced Decomposition of Bicyclic Dioxetanes Bearing an Oxidoaryl Group |
Authors of publication | Masakatsu Matsumoto; Haruna Suzuki; Nobuko Watanabe; Hisako K. Ijuin; Jiro Tanaka; Chizuko Tanaka |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 5006 - 5017 |
a | 13.21 ± 0.02 Å |
b | 13.85 ± 0.02 Å |
c | 15.11 ± 0.02 Å |
α | 96.8 ± 0.03° |
β | 91.23 ± 0.03° |
γ | 113.75 ± 0.04° |
Cell volume | 2505 ± 6 Å3 |
Cell temperature | 120.1 K |
Ambient diffraction temperature | 120.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.067 |
Weighted residual factors for all reflections included in the refinement | 0.188 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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