Crystallography Open Database

Information card for entry 7700017

Preview

Coordinates	7700017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 Al N S2
Calculated formula	C27 H28 Al N S2
Title of publication	Reaction of an N/Al FLP-based aluminum hydride toward alkynes: deprotonated alumination versus hydroalumination with regioselective cis-addition character.
Authors of publication	Chen, Yilin; Jiang, Wenjun; Li, Bin; Fu, Gang; Chen, Shimin; Zhu, Hongping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	25
Pages of publication	9152 - 9160
a	24.0988 ± 0.0009 Å
b	8.701 ± 0.0003 Å
c	11.4918 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2409.64 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224208 (current)	2019-11-08	cif/ Updating files of 7700016, 7700017, 7700018, 7700019 Original log message: Adding full bibliography for 7700016--7700019.cif.	7700017.cif
215292	2019-05-18	cif/ Adding structures of 7700016, 7700017, 7700018, 7700019 via cif-deposit CGI script.	7700017.cif