Crystallography Open Database

Information card for entry 7123281

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Coordinates	7123281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 N2 O8
Calculated formula	C44 H50 N2 O8
Title of publication	‘Sulfonyl-Azide-Free’ (SAFE) Aqueous-Phase Diazo Transfer Reaction for Parallel and Diversity-Oriented Synthesis
Authors of publication	Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail
Journal of publication	Chemical Communications
Year of publication	2019
a	5.7613 ± 0.0001 Å
b	20.9417 ± 0.0003 Å
c	32.5782 ± 0.0005 Å
α	90°
β	93.109 ± 0.001°
γ	90°
Cell volume	3924.82 ± 0.11 Å³
Cell temperature	129 ± 2 K
Ambient diffraction temperature	129 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1434
Goodness-of-fit parameter for all reflections included in the refinement	1.0063
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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