Crystallography Open Database

Information card for entry 1554270

Preview

Coordinates	1554270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H96 N4 O22
Calculated formula	C78 H96 N4 O22
Title of publication	Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity
Authors of publication	Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun
Journal of publication	Organic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	7
Pages of publication	1079
a	10.70154 ± 0.00011 Å
b	27.4281 ± 0.0003 Å
c	26.4591 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7766.35 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.2014
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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