Crystallography Open Database

Information card for entry 7241036

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Coordinates	7241036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H38 O5
Calculated formula	C59 H38 O5
Title of publication	High conversion and selectivity of photodimerization under air conditions by supramolecular oxidation restraint within a metallocage-like nanoreactor
Authors of publication	Yang, Lu; Qin, Lan; Dou, Yong; Zhang, Daopeng; Zhou, Zhen; Wang, Suna
Journal of publication	CrystEngComm
Year of publication	2020
a	9.6181 ± 0.0003 Å
b	13.5685 ± 0.0004 Å
c	15.9089 ± 0.0004 Å
α	80.8233 ± 0.0013°
β	87.5873 ± 0.0013°
γ	81.6607 ± 0.0013°
Cell volume	2027.54 ± 0.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1449
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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