Crystallography Open Database

Information card for entry 7063837

Preview

Coordinates	7063837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H18 Br Cl N2 O
Calculated formula	C26 H18 Br Cl N2 O
Title of publication	Diastereoselective reaction to construct polycyclic spiroindolines from 3-(2-isocyanoethyl)indoles and ynones
Authors of publication	Liang, Demin; Wu, Da; Shen, Jie; Lu, Shanya; Wang, Jiale; Yan, Xiaodong; Li, Jian
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	26
Pages of publication	11371 - 11375
a	9.0752 ± 0.0005 Å
b	19.2241 ± 0.0011 Å
c	12.5601 ± 0.0007 Å
α	90°
β	106.66 ± 0.002°
γ	90°
Cell volume	2099.3 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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