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Information card for entry 1503586
Preview
Coordinates | 1503586.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H14 O5 |
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Calculated formula | C17 H14 O5 |
SMILES | O1c2cc3OCOc3cc2c2c(cc3OCOc3c2)C1(C)C |
Title of publication | A domino palladium-catalyzed C-C and C-O bonds formation via dual O-H bond activation: synthesis of 6,6-dialkyl-6H-benzo[c]chromenes. |
Authors of publication | Mahendar, Lodi; Krishna, Jonnada; Reddy, Alavala Gopi Krishna; Ramulu, Bokka Venkat; Satyanarayana, Gedu |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 2 |
Pages of publication | 628 - 631 |
a | 6.4053 ± 0.0005 Å |
b | 15.8952 ± 0.0013 Å |
c | 13.1993 ± 0.0011 Å |
α | 90° |
β | 101.104 ± 0.007° |
γ | 90° |
Cell volume | 1318.71 ± 0.19 Å3 |
Cell temperature | 150.01 ± 0.1 K |
Ambient diffraction temperature | 150.01 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0694 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1804 |
Weighted residual factors for all reflections included in the refinement | 0.2037 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.501 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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