Crystallography Open Database

Information card for entry 7247354

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Coordinates	7247354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H52 N4 O4
Calculated formula	C58 H52 N4 O4
Title of publication	Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light
Authors of publication	Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	20
Pages of publication	8074 - 8081
a	18.5654 ± 0.0004 Å
b	11.0141 ± 0.0002 Å
c	23.246 ± 0.0005 Å
α	90°
β	104.797 ± 0.002°
γ	90°
Cell volume	4595.73 ± 0.17 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1097
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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