Crystallography Open Database

Information card for entry 7159853

Preview

Coordinates	7159853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Cl N3 O2 S
Calculated formula	C28 H28 Cl N3 O2 S
Title of publication	Diversity-oriented synthesis of indole-fused scaffolds and bis(indolyl)methane from tosyl-protected tryptamine.
Authors of publication	Wang, Liang; Song, Xiaopei; Guo, Fengxia; Xu, Lubin; Hu, Fangzhi; Guo, Feng-Wei; Li, Shuai-Shuai
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	14
Pages of publication	2824 - 2834
a	9.767 ± 0.0009 Å
b	12.1981 ± 0.0012 Å
c	12.7598 ± 0.0012 Å
α	73.207 ± 0.002°
β	83.479 ± 0.004°
γ	79.591 ± 0.003°
Cell volume	1428.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0967
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1639
Weighted residual factors for all reflections included in the refinement	0.1779
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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