Crystallography Open Database

Information card for entry 7700471

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Structure parameters

Formula	C21 H17 N2 P Se
Calculated formula	C21 H17 N2 P Se
Title of publication	Aluminium complex as an efficient catalyst for the chemo-selective reduction of amides to amines.
Authors of publication	Das, Suman; Karmakar, Himadri; Bhattacharjee, Jayeeta; Panda, Tarun K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	31
Pages of publication	11978 - 11984
a	9.6733 ± 0.0004 Å
b	15.46 ± 0.0008 Å
c	12.487 ± 0.0005 Å
α	90°
β	103.385 ± 0.004°
γ	90°
Cell volume	1816.7 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0963
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.1175
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7700471.cif
224366	2019-11-08	cif/ Updating files of 7700471, 7700472, 7700473 Original log message: Adding full bibliography for 7700471--7700473.cif.	7700471.cif
216850	2019-07-09	cif/ Adding structures of 7700471, 7700472, 7700473 via cif-deposit CGI script.	7700471.cif