Crystallography Open Database

Information card for entry 7221063

Preview

Coordinates	7221063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 N O5 S
Calculated formula	C24 H23 N O5 S
SMILES	S(=O)(=O)(N1Cc2ccc3COCc3c2c2c1cc(OC)c(OC)c2)c1ccc(cc1)C
Title of publication	Synthesis of Benzochromenes and Dihydrophenanthridines with Helical Motif using Garratt-Braverman and Buchwald-Hartwig Reactions
Authors of publication	Basak, Amit; Bhattacharya, Prabuddha; Senapati, Kalyan; Chattopadhyay, Krishna; Mandal, Santi M.
Journal of publication	RSC Adv.
Year of publication	2015
a	8.243 ± 0.002 Å
b	19.74 ± 0.006 Å
c	12.654 ± 0.004 Å
α	90°
β	103.1 ± 0.008°
γ	90°
Cell volume	2005.4 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0617
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.827
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7221063.cif
141020	2015-07-08	cif/ Adding structures of 7221062, 7221063, 7221064 via cif-deposit CGI script.	7221063.cif