Crystallography Open Database

Information card for entry 7220687

7220686 << 7220687 >> 7220688

Preview

Structure parameters

Formula	C23 H23 N O2
Calculated formula	C23 H23 N O2
SMILES	O[C@H]1c2n(c3ccc(cc3)C)c(cc2C(=O)CC1(C)C)c1ccccc1
Title of publication	Synthesis of 7-Hydroxy-6,7-dihydro-indole and 6',7'-Dihydro-3,7'-biindole Derivatives from Domino Reactions of Arylglyoxals or Methyl Ketones with Enamines
Authors of publication	Lu, Xin-Mou; Cai, Zhong-Jian; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun
Journal of publication	RSC Adv.
Year of publication	2015
a	9.8585 ± 0.0016 Å
b	11.222 ± 0.002 Å
c	17.434 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1928.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1478
Residual factor for significantly intense reflections	0.0897
Weighted residual factors for significantly intense reflections	0.1712
Weighted residual factors for all reflections included in the refinement	0.1924
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7220687.cif
138340	2015-06-05	cif/ Adding structures of 7220687 via cif-deposit CGI script.	7220687.cif