Crystallography Open Database

Information card for entry 4022253

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Coordinates	4022253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H43 N O8
Calculated formula	C34 H43 N O8
Title of publication	Modification of the Upper Rim of Homooxacalix[3]arenes and Complexation between a Nitrohomooxacalix[3]arene Derivative and n-Hexylamine
Authors of publication	Kazunori Tsubaki; Tadamune Otsubo; Tatsuya Morimoto; Hiromi Maruoka; Mika Furukawa; Yashima Momose; Muhong Shang; Kaoru Fuji
Journal of publication	Journal of Organic Chemistry
Year of publication	2002
Journal volume	67
Pages of publication	8151 - 8156
a	9.6035 ± 0.0008 Å
b	19.58 ± 0.003 Å
c	17.734 ± 0.003 Å
α	90°
β	95.768 ± 0.008°
γ	90°
Cell volume	3317.8 ± 0.7 Å³
Cell temperature	293.2 K
Ambient diffraction temperature	293.2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.1217
Weighted residual factors for significantly intense reflections	0.1727
Goodness-of-fit parameter for significantly intense reflections	1.62
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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