Crystallography Open Database

Information card for entry 7245506

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Coordinates	7245506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H39 N3 O3
Calculated formula	C36 H39 N3 O3
Title of publication	Synthesis, crystal structure, and properties of methyl-substituted coronene amide analogue
Authors of publication	Rakumitsu, Kenta; Fujii, Miho; Kusumoto, Sotaro; Kikkawa, Shoko; Azumaya, Isao; Yokoyama, Akihiro
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	40
Pages of publication	26411 - 26417
a	11.2659 ± 0.0001 Å
b	25.5758 ± 0.0001 Å
c	11.4452 ± 0.0001 Å
α	90°
β	116.565 ± 0.001°
γ	90°
Cell volume	2949.6 ± 0.05 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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