Crystallography Open Database

Information card for entry 7135733

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Coordinates	7135733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H17 N3 O5
Calculated formula	C27 H17 N3 O5
Title of publication	peri-Selective C−H Activation-Initiated Spiroannulation Leading to Spiro Polycyclic Compounds with Unique Photo-Physical Property and Strong Anticancer Activity
Authors of publication	Zhou, Qianting; Zou, Jiayi; Xu, Haiyun; Gong, Yijun; Ma, Chunhua; Zhang, Xinying; Fan, Xuesen
Journal of publication	Chemical Communications
Year of publication	2026
a	13.6356 ± 0.0004 Å
b	8.3718 ± 0.0002 Å
c	19.9438 ± 0.0006 Å
α	90°
β	108.495 ± 0.003°
γ	90°
Cell volume	2159.09 ± 0.11 Å³
Cell temperature	294.53 ± 0.1 K
Ambient diffraction temperature	294.53 ± 0.1 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	0.0841
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1579
Weighted residual factors for all reflections included in the refinement	0.1681
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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