Crystallography Open Database

Information card for entry 7129128

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Coordinates	7129128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H36 N2 O
Calculated formula	C29 H36 N2 O
Title of publication	Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.
Authors of publication	Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	87
Pages of publication	11509 - 11512
a	16.825 ± 0.0004 Å
b	8.93762 ± 0.00018 Å
c	21.4865 ± 0.0004 Å
α	90°
β	108.212 ± 0.002°
γ	90°
Cell volume	3069.19 ± 0.12 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140.15 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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