Crystallography Open Database

Information card for entry 7160032

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Coordinates	7160032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 Cl N3
Calculated formula	C20 H12 Cl N3
Title of publication	Atropisomeric 1-phenylbenzimidazoles affecting microtubule organization: influence of axial chirality.
Authors of publication	Pospíšilová, Jana; Heger, Tomáš; Kurka, Ondřej; Kvasnicová, Marie; Chládková, Anna; Nemec, Ivan; Rárová, Lucie; Cankař, Petr
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	34
Pages of publication	6966 - 6980
a	10.66903 ± 0.00006 Å
b	13.58537 ± 0.00006 Å
c	11.39283 ± 0.00005 Å
α	90°
β	102.886 ± 0.0005°
γ	90°
Cell volume	1609.72 ± 0.014 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 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	0.0243
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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