Crystallography Open Database

Information card for entry 7225341

Preview

Structure parameters

Formula	C31 H26 N2 O5
Calculated formula	C31 H26 N2 O5
SMILES	O=C(OCC)C1=C(Oc2c([C@@]31C(=O)N(c1c3cccc1)Cc1ccccc1)cc(OC)c1c2cccc1)N
Title of publication	Construction of Highly Enantioselective Spiro-oxindole Derivatives with Fused Chromene via Organocascade Catalysis
Authors of publication	Kumari, Prathibha; Nandi, Sekhar; Kumar, Gaurav; Khan, Noor-ul Hasan; Kureshy, Rukhsana Ilyas; Abdi, Sayed H. R.; Eringathodi, Suresh; Bajaj, Hari Chand
Journal of publication	RSC Adv.
Year of publication	2016
a	9.114 ± 0.0016 Å
b	13.231 ± 0.002 Å
c	22.242 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2682.1 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0987
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.22
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
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.	7225341.cif
183082	2016-05-22	cif/ Adding structures of 7225341 via cif-deposit CGI script.	7225341.cif