Crystallography Open Database

Information card for entry 7048627

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Coordinates	7048627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H83 N9 Ti
Calculated formula	C48 H83 N9 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	32.9866 ± 0.001 Å
b	10.4591 ± 0.0002 Å
c	34.4041 ± 0.001 Å
α	90°
β	122.401 ± 0.004°
γ	90°
Cell volume	10021.9 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1429
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

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