Crystallography Open Database

Information card for entry 1572045

1572044 << 1572045 >> 1572046

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Coordinates	1572045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 N8 O
Calculated formula	C27 H30 N8 O
Title of publication	Inherently chiral nor-heteracalixarenes: design and synthesis <i>via</i> enantioselective intramolecular Suzuki-Miyaura reaction.
Authors of publication	Jiang, Yi-Fan; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	31
Pages of publication	12517 - 12522
a	10.3425 ± 0.0002 Å
b	12.0823 ± 0.0002 Å
c	10.7603 ± 0.0002 Å
α	90°
β	111.053 ± 0.002°
γ	90°
Cell volume	1254.86 ± 0.04 Å³
Cell temperature	172.99 ± 0.1 K
Ambient diffraction temperature	172.99 ± 0.1 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	0.0339
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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