Crystallography Open Database

Information card for entry 4029669

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Coordinates	4029669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H61.26 N0 O6
Calculated formula	C67 H61.35 O6
Title of publication	Hollow sphere formation from a three-dimensional structure composed of an adamantane-based cage.
Authors of publication	Tominaga, Masahide; Ohara, Kazuaki; Yamaguchi, Kentaro; Azumaya, Isao
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	14
Pages of publication	6738 - 6742
a	13.782 ± 0.003 Å
b	19.442 ± 0.004 Å
c	21.953 ± 0.004 Å
α	88.24 ± 0.03°
β	76.49 ± 0.03°
γ	86.79 ± 0.03°
Cell volume	5710 ± 2 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1404
Residual factor for significantly intense reflections	0.0914
Weighted residual factors for significantly intense reflections	0.2486
Weighted residual factors for all reflections included in the refinement	0.2955
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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