Crystallography Open Database

Information card for entry 7061515

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Coordinates	7061515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H50 N2 O7
Calculated formula	C47 H50 N2 O7
Title of publication	The atropisomeric dynamic behaviour of symmetrical N-acylated amine-bridged calix[4]arenes
Authors of publication	Tlustý, M.; Eigner, V.; Dvořáková, H.; Lhoták, P.
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	24
Pages of publication	11774 - 11781
a	9.46594 ± 0.00008 Å
b	17.66158 ± 0.00014 Å
c	23.8239 ± 0.0002 Å
α	90°
β	90.2849 ± 0.0007°
γ	90°
Cell volume	3982.91 ± 0.06 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Ambient diffracton pressure	101 kPa
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for all reflections	0.095
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	0.9781
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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