Crystallography Open Database

Information card for entry 7241616

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Coordinates	7241616.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tropolone
Formula	C17 H20 O8 S
Calculated formula	C17 H20 O8 S
Title of publication	Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring
Authors of publication	Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	1
Pages of publication	30 - 34
a	6.7888 ± 0.0004 Å
b	20.096 ± 0.0012 Å
c	13.5491 ± 0.0008 Å
α	90°
β	102.749 ± 0.002°
γ	90°
Cell volume	1802.9 ± 0.19 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 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	0.1
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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