Information card for entry 2200455

Structure parameters

• Chemical name: 4-Benzylidene-1'-methyl-4'-phenylcyclohexanespiro-3'-pyrrolidine-2'-spiro- 3''-indoline-2,2''-dione
• Formula: C30 H28 N2 O2
• Calculated formula: C30 H28 N2 O2
• SMILES: O=C1[C@]2([C@@]3(N(C[C@@H]2c2ccccc2)C)C(=O)Nc2ccccc32)CCCC\1=C/c1ccccc1.O=C1[C@@]2([C@]3(N(C[C@H]2c2ccccc2)C)C(=O)Nc2ccccc32)CCC/C1=C\c1ccccc1
• Title of publication: 3-Benzylidene-1'-methyl-4'-phenylcyclohexanespiro-3'-pyrrolidine-2'-spiro-3''-indoline-2,2''-dione
• Authors of publication: Jeyabharathi, A.; Ponnuswamy, M. N.; Amal Raj, A.; Raghunathan, R.; Razak, Ibrahim Abdul; Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: o901 - o903
• a: 12.3624 ± 0.0001 Å
• b: 13.064 ± 0.0002 Å
• c: 17.1439 ± 0.0003 Å
• α: 110.066 ± 0.001°
• β: 93.2 ± 0.001°
• γ: 110.534 ± 0.001°
• Cell volume: 2386.13 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes