Crystallography Open Database

Information card for entry 1516709

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Structure parameters

Formula	C30 H22 O2
Calculated formula	C30 H22 O2
SMILES	c1(OC)cc2c(cc3c4ccccc4c4ccccc4c3c2cc1OC)c1ccccc1
Title of publication	Lewis Acid Catalyzed Cascade Reaction to Carbazoles and Naphthalenes via Dehydrative [3 + 3]-Annulation.
Authors of publication	Wang, Shaoyin; Chai, Zhuo; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	13
Pages of publication	3592 - 3595
a	7.5251 ± 0.0005 Å
b	13.3225 ± 0.0009 Å
c	21.8161 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2187.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1516709.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516709.cif
119287	2014-07-05	cif/ Updating files of 1516707, 1516708, 1516709 Original log message: Adding full bibliography for 1516707--1516709.cif.	1516709.cif
118032	2014-06-25	cif/ Adding structures of 1516707, 1516708, 1516709 via cif-deposit CGI script.	1516709.cif