Crystallography Open Database

Information card for entry 7048630

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Coordinates	7048630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H60 N8 Ti
Calculated formula	C46 H60 N8 Ti
Title of publication	Guanylation/Cyclisation of Amino Acid Esters using Imidazolin-2-iminato Titanium Initiator
Authors of publication	Panda, Tarun Kanti Kanti; Das, Suman; Bhattacharjee, Jayeeta
Journal of publication	Dalton Transactions
Year of publication	2019
a	20.4747 ± 0.0004 Å
b	20.9986 ± 0.0003 Å
c	20.8892 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	8981.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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