Crystallography Open Database

Information card for entry 7121262

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Structure parameters

Formula	C34 H35 I N2 O5 S2
Calculated formula	C34 H35 I N2 O5 S2
Title of publication	1,3-Iodo-amination of 2-methyl indoles via C<sub>sp<sup>2</sup></sub>-C<sub>sp<sup>3</sup></sub> dual functionalization with iodine reagent.
Authors of publication	Moriyama, Katsuhiko; Hamada, Tsukasa; Ishida, Kazuma; Togo, Hideo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	34
Pages of publication	4258 - 4261
a	12.2348 ± 0.0009 Å
b	13.7713 ± 0.001 Å
c	21.3593 ± 0.0015 Å
α	74.8147 ± 0.0009°
β	78.2115 ± 0.001°
γ	80.192 ± 0.0009°
Cell volume	3373.8 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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